3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate

C114H140N20O16S4 — CID 160769657

About 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate

3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate (PubChem CID 160769657) has the molecular formula C114H140N20O16S4 and a molecular weight of 2174.77 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate
• PubChem CID: 160769657
• Molecular Formula: C114H140N20O16S4
• Molecular Weight: 2174.77 g/mol
• Exact Mass: 2172.96
• IUPAC Name: 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@]6(CCCCO6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@]6(CCCCO6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@@]6(CCCCO6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@]6(CCCCO6)C5)ccc4C3)sc2n1
• InChI: InChI=1S/2C31H39N5O5S.2C26H31N5O3S/c2*1-18-7-10-22-25(32)26(42-28(22)33-18)27(37)34-20-13-19-8-9-21(14-23(19)39-16-20)36-15-24(35-29(38)41-30(2,3)4)31(17-36)11-5-6-12-40-31;2*1-15-4-7-19-22(28)23(35-25(19)29-15)24(32)30-17-10-16-5-6-18(11-20(16)33-13-17)31-12-21(27)26(14-31)8-2-3-9-34-26/h2*7-10,14,20,24H,5-6,11-13,15-17,32H2,1-4H3,(H,34,37)(H,35,38);2*4-7,11,17,21H,2-3,8-10,12-14,27-28H2,1H3,(H,30,32)/t20-,24+,31+;20-,24+,31-;17-,21+,26+;17-,21+,26-/m1111/s1
• InChIKey: RZDJUZOBAZHEHI-BYYOGAOUSA-N
• XLogP: 15.16
• TPSA: 487.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.77
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate?

The IUPAC name of 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate (CID 160769657) is 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate?

The canonical SMILES for 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@]6(CCCCO6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@]6(CCCCO6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@@]6(CCCCO6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](NC(=O)OC(C)(C)C)[C@]6(CCCCO6)C5)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate?

The InChIKey is RZDJUZOBAZHEHI-BYYOGAOUSA-N. The full InChI is InChI=1S/2C31H39N5O5S.2C26H31N5O3S/c2*1-18-7-10-22-25(32)26(42-28(22)33-18)27(37)34-20-13-19-8-9-21(14-23(19)39-16-20)36-15-24(35-29(38)41-30(2,3)4)31(17-36)11-5-6-12-40-31;2*1-15-4-7-19-22(28)23(35-25(19)29-15)24(32)30-17-10-16-5-6-18(11-20(16)33-13-17)31-12-21(27)26(14-31)8-2-3-9-34-26/h2*7-10,14,20,24H,5-6,11-13,15-17,32H2,1-4H3,(H,34,37)(H,35,38);2*4-7,11,17,21H,2-3,8-10,12-14,27-28H2,1H3,(H,30,32)/t20-,24+,31+;20-,24+,31-;17-,21+,26+;17-,21+,26-/m1111/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate?

3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate has a molecular weight of 2174.77 g/mol, XLogP of 15.16, 14 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(4S,5R)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(4S,5S)-4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(4S,5R)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(4S,5S)-2-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-6-oxa-2-azaspiro[4.5]decan-4-yl]carbamate is sourced from PubChem (CID 160769657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).