(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C173H196F9N35O15S5 — CID 167631042

IUPAC(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESC[C@@]12CNc3ncc(C(=O)N[C@H]4COc5cc(N6CC7CCC(C6)N7)ccc5C4)cc3[C@@H]1C2.C[C@]12CNc3ncc(C(=O)N[C@H]4COc5cc(N6CC7CCC(C6)N7)ccc5C4)cc3[C@H]1C2.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN[C@@H](C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN[C@H](C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@@]6(CCCNC6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@]6(CCCNC6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](OC(F)(F)F)[C@@H](N)C5)ccc4C3)sc2n1
InChIInChI=1S/2C26H31N5O2S.2C26H31N5O2.C23H24F3N5O3S.2C23H24F3N5O2S/c2*1-16-3-6-20-22(27)23(34-25(20)29-16)24(32)30-18-11-17-4-5-19(12-21(17)33-13-18)31-10-8-26(15-31)7-2-9-28-14-26;2*1-26-9-22(26)21-7-16(10-27-24(21)28-14-26)25(32)30-19-6-15-2-5-20(8-23(15)33-13-19)31-11-17-3-4-18(12-31)29-17;1-11-2-5-15-19(28)20(35-22(15)29-11)21(32)30-13-6-12-3-4-14(7-17(12)33-10-13)31-8-16(27)18(9-31)34-23(24,25)26;2*1-12-2-5-16-19(27)20(34-22(16)29-12)21(32)30-14-8-13-3-4-15(9-17(13)33-11-14)31-7-6-28-18(10-31)23(24,25)26/h2*3-6,12,18,28H,2,7-11,13-15,27H2,1H3,(H,30,32);2*2,5,7-8,10,17-19,22,29H,3-4,6,9,11-14H2,1H3,(H,27,28)(H,30,32);2-5,7,13,16,18H,6,8-10,27-28H2,1H3,(H,30,32);2*2-5,9,14,18,28H,6-8,10-11,27H2,1H3,(H,30,32)/t18-,26+;18-,26-;17?,18?,19-,22+,26-;17?,18?,19-,22-,26+;13-,16+,18+;14-,18+;14-,18-/m1111111/s1
InChIKeyNULIWVNKMYGHMR-XHYUMGCBSA-N
MW3337.02 g/mol
LogP21.84
Rot. Bonds22

About (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167631042) has the molecular formula C173H196F9N35O15S5 and a molecular weight of 3337.02 g/mol. Its IUPAC name is (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID167631042
Molecular FormulaC173H196F9N35O15S5
Molecular Weight3337.02 g/mol
Exact Mass3334.41
IUPAC Name(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESC[C@@]12CNc3ncc(C(=O)N[C@H]4COc5cc(N6CC7CCC(C6)N7)ccc5C4)cc3[C@@H]1C2.C[C@]12CNc3ncc(C(=O)N[C@H]4COc5cc(N6CC7CCC(C6)N7)ccc5C4)cc3[C@H]1C2.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN[C@@H](C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN[C@H](C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@@]6(CCCNC6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@]6(CCCNC6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](OC(F)(F)F)[C@@H](N)C5)ccc4C3)sc2n1
InChIInChI=1S/2C26H31N5O2S.2C26H31N5O2.C23H24F3N5O3S.2C23H24F3N5O2S/c2*1-16-3-6-20-22(27)23(34-25(20)29-16)24(32)30-18-11-17-4-5-19(12-21(17)33-13-18)31-10-8-26(15-31)7-2-9-28-14-26;2*1-26-9-22(26)21-7-16(10-27-24(21)28-14-26)25(32)30-19-6-15-2-5-20(8-23(15)33-13-19)31-11-17-3-4-18(12-31)29-17;1-11-2-5-15-19(28)20(35-22(15)29-11)21(32)30-13-6-12-3-4-14(7-17(12)33-10-13)31-8-16(27)18(9-31)34-23(24,25)26;2*1-12-2-5-16-19(27)20(34-22(16)29-12)21(32)30-14-8-13-3-4-15(9-17(13)33-11-14)31-7-6-28-18(10-31)23(24,25)26/h2*3-6,12,18,28H,2,7-11,13-15,27H2,1H3,(H,30,32);2*2,5,7-8,10,17-19,22,29H,3-4,6,9,11-14H2,1H3,(H,27,28)(H,30,32);2-5,7,13,16,18H,6,8-10,27-28H2,1H3,(H,30,32);2*2-5,9,14,18,28H,6-8,10-11,27H2,1H3,(H,30,32)/t18-,26+;18-,26-;17?,18?,19-,22+,26-;17?,18?,19-,22-,26+;13-,16+,18+;14-,18+;14-,18-/m1111111/s1
InChIKeyNULIWVNKMYGHMR-XHYUMGCBSA-N
XLogP21.84
TPSA642.81 Ų
H-Bond Donors21
H-Bond Acceptors48
Rotatable Bonds22
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003337.02
LogP ≤ 521.84
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1048

Analyze (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 167631042) is (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is C[C@@]12CNc3ncc(C(=O)N[C@H]4COc5cc(N6CC7CCC(C6)N7)ccc5C4)cc3[C@@H]1C2.C[C@]12CNc3ncc(C(=O)N[C@H]4COc5cc(N6CC7CCC(C6)N7)ccc5C4)cc3[C@H]1C2.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN[C@@H](C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN[C@H](C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@@]6(CCCNC6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@]6(CCCNC6)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](OC(F)(F)F)[C@@H](N)C5)ccc4C3)sc2n1.
What is the InChIKey of (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NULIWVNKMYGHMR-XHYUMGCBSA-N. The full InChI is InChI=1S/2C26H31N5O2S.2C26H31N5O2.C23H24F3N5O3S.2C23H24F3N5O2S/c2*1-16-3-6-20-22(27)23(34-25(20)29-16)24(32)30-18-11-17-4-5-19(12-21(17)33-13-18)31-10-8-26(15-31)7-2-9-28-14-26;2*1-26-9-22(26)21-7-16(10-27-24(21)28-14-26)25(32)30-19-6-15-2-5-20(8-23(15)33-13-19)31-11-17-3-4-18(12-31)29-17;1-11-2-5-15-19(28)20(35-22(15)29-11)21(32)30-13-6-12-3-4-14(7-17(12)33-10-13)31-8-16(27)18(9-31)34-23(24,25)26;2*1-12-2-5-16-19(27)20(34-22(16)29-12)21(32)30-14-8-13-3-4-15(9-17(13)33-11-14)31-7-6-28-18(10-31)23(24,25)26/h2*3-6,12,18,28H,2,7-11,13-15,27H2,1H3,(H,30,32);2*2,5,7-8,10,17-19,22,29H,3-4,6,9,11-14H2,1H3,(H,27,28)(H,30,32);2-5,7,13,16,18H,6,8-10,27-28H2,1H3,(H,30,32);2*2-5,9,14,18,28H,6-8,10-11,27H2,1H3,(H,30,32)/t18-,26+;18-,26-;17?,18?,19-,22+,26-;17?,18?,19-,22-,26+;13-,16+,18+;14-,18+;14-,18-/m1111111/s1.
What are the key properties of (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
(1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 3337.02 g/mol, XLogP of 21.84, 22 rotatable bonds, 21 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-1a-methyl-1,2,3,7b-tetrahydrocyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(5S)-2,9-diazaspiro[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-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3R)-7-[(3S)-3-(trifluoromethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167631042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).