3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate

C290H360N50O43S10 — CID 158268555

IUPAC3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate
SMILESCC1CCOC12CN(c1ccc3c(c1)OC[C@H](N)C3)CC2NC(=O)OC(C)(C)C.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC(NC(=O)OC(C)(C)C)C6(C5)OCCC6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](NC(=O)OC(C)(C)C)[C@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](NC(=O)OC(C)(C)C)[C@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/5C31H39N5O5S.4C26H31N5O3S.C22H33N3O4.C9H8N2O2S/c5*1-17-10-11-40-31(17)16-36(14-24(31)35-29(38)41-30(3,4)5)21-8-7-19-12-20(15-39-23(19)13-21)34-27(37)26-25(32)22-9-6-18(2)33-28(22)42-26;4*1-14-7-8-34-26(14)13-31(11-21(26)27)18-5-4-16-9-17(12-33-20(16)10-18)30-24(32)23-22(28)19-6-3-15(2)29-25(19)35-23;1-14-7-8-28-22(14)13-25(11-19(22)24-20(26)29-21(2,3)4)17-6-5-15-9-16(23)12-27-18(15)10-17;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h5*6-9,13,17,20,24H,10-12,14-16,32H2,1-5H3,(H,34,37)(H,35,38);4*3-6,10,14,17,21H,7-9,11-13,27-28H2,1-2H3,(H,30,32);5-6,10,14,16,19H,7-9,11-13,23H2,1-4H3,(H,24,26);2-3H,10H2,1H3,(H,12,13)/t17?,20-,24?,31?;17-,20+,24+,31+;17-,20+,24-,31-;17-,20-,24+,31+;17-,20-,24-,31-;14-,17+,21+,26+;14-,17+,21-,26-;14-,17-,21+,26+;14-,17-,21-,26-;14?,16-,19?,22?;/m1001100111./s1
InChIKeyGITFCOIAOSGFET-UKKSUNFESA-N
MW5555.05 g/mol
LogP37.94
Rot. Bonds35

About 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate

3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate (PubChem CID 158268555) has the molecular formula C290H360N50O43S10 and a molecular weight of 5555.05 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate
PubChem CID158268555
Molecular FormulaC290H360N50O43S10
Molecular Weight5555.05 g/mol
Exact Mass5550.47
IUPAC Name3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate
SMILESCC1CCOC12CN(c1ccc3c(c1)OC[C@H](N)C3)CC2NC(=O)OC(C)(C)C.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC(NC(=O)OC(C)(C)C)C6(C5)OCCC6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](NC(=O)OC(C)(C)C)[C@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](NC(=O)OC(C)(C)C)[C@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1
InChIInChI=1S/5C31H39N5O5S.4C26H31N5O3S.C22H33N3O4.C9H8N2O2S/c5*1-17-10-11-40-31(17)16-36(14-24(31)35-29(38)41-30(3,4)5)21-8-7-19-12-20(15-39-23(19)13-21)34-27(37)26-25(32)22-9-6-18(2)33-28(22)42-26;4*1-14-7-8-34-26(14)13-31(11-21(26)27)18-5-4-16-9-17(12-33-20(16)10-18)30-24(32)23-22(28)19-6-3-15(2)29-25(19)35-23;1-14-7-8-28-22(14)13-25(11-19(22)24-20(26)29-21(2,3)4)17-6-5-15-9-16(23)12-27-18(15)10-17;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h5*6-9,13,17,20,24H,10-12,14-16,32H2,1-5H3,(H,34,37)(H,35,38);4*3-6,10,14,17,21H,7-9,11-13,27-28H2,1-2H3,(H,30,32);5-6,10,14,16,19H,7-9,11-13,23H2,1-4H3,(H,24,26);2-3H,10H2,1H3,(H,12,13)/t17?,20-,24?,31?;17-,20+,24+,31+;17-,20+,24-,31-;17-,20-,24+,31+;17-,20-,24-,31-;14-,17+,21+,26+;14-,17+,21-,26-;14-,17-,21+,26+;14-,17-,21-,26-;14?,16-,19?,22?;/m1001100111./s1
InChIKeyGITFCOIAOSGFET-UKKSUNFESA-N
XLogP37.94
TPSA1265.38 Ų
H-Bond Donors31
H-Bond Acceptors87
Rotatable Bonds35
Heavy Atoms393
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005555.05
LogP ≤ 537.94
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1087

Analyze 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate?
The IUPAC name of 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate (CID 158268555) is 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate.
What is the SMILES notation for 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate?
The canonical SMILES for 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate is CC1CCOC12CN(c1ccc3c(c1)OC[C@H](N)C3)CC2NC(=O)OC(C)(C)C.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC(NC(=O)OC(C)(C)C)C6(C5)OCCC6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](NC(=O)OC(C)(C)C)[C@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](NC(=O)OC(C)(C)C)[C@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@@]6(C5)OCC[C@@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@@]6(C5)OCC[C@H]6C)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate?
The InChIKey is GITFCOIAOSGFET-UKKSUNFESA-N. The full InChI is InChI=1S/5C31H39N5O5S.4C26H31N5O3S.C22H33N3O4.C9H8N2O2S/c5*1-17-10-11-40-31(17)16-36(14-24(31)35-29(38)41-30(3,4)5)21-8-7-19-12-20(15-39-23(19)13-21)34-27(37)26-25(32)22-9-6-18(2)33-28(22)42-26;4*1-14-7-8-34-26(14)13-31(11-21(26)27)18-5-4-16-9-17(12-33-20(16)10-18)30-24(32)23-22(28)19-6-3-15(2)29-25(19)35-23;1-14-7-8-28-22(14)13-25(11-19(22)24-20(26)29-21(2,3)4)17-6-5-15-9-16(23)12-27-18(15)10-17;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h5*6-9,13,17,20,24H,10-12,14-16,32H2,1-5H3,(H,34,37)(H,35,38);4*3-6,10,14,17,21H,7-9,11-13,27-28H2,1-2H3,(H,30,32);5-6,10,14,16,19H,7-9,11-13,23H2,1-4H3,(H,24,26);2-3H,10H2,1H3,(H,12,13)/t17?,20-,24?,31?;17-,20+,24+,31+;17-,20+,24-,31-;17-,20-,24+,31+;17-,20-,24-,31-;14-,17+,21+,26+;14-,17+,21-,26-;14-,17-,21+,26+;14-,17-,21-,26-;14?,16-,19?,22?;/m1001100111./s1.
What are the key properties of 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate?
3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate has a molecular weight of 5555.05 g/mol, XLogP of 37.94, 35 rotatable bonds, 31 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(4S,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5R,9S)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4R,5S,9R)-9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[7-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5R,9S)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4S,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[(4R,5S,9R)-7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate;tert-butyl N-[7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl]carbamate is sourced from PubChem (CID 158268555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).