N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide

C104H107N21O9S4 — CID 90913184

IUPACN-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide
SMILESCC[C@@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)NC3CC3)c2s1.COC[C@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)NC3CC3)c2s1.CO[C@H]1CCN(C(=O)c2cc3nccc(Nc4ccc5c(c4)cc(C)n5C(=O)NC4CC4)c3s2)C1.Cc1cc2cc(Nc3ccnc4cc(-c5nccn5C)sc34)ccc2n1C(=O)NC1CC1
InChIInChI=1S/C27H29N5O3S.C27H29N5O2S.C26H27N5O3S.C24H22N6OS/c1-16-12-17-13-19(7-8-23(17)32(16)27(34)30-18-5-6-18)29-21-9-10-28-22-14-24(36-25(21)22)26(33)31-11-3-4-20(31)15-35-2;1-3-20-5-4-12-31(20)26(33)24-15-22-25(35-24)21(10-11-28-22)29-19-8-9-23-17(14-19)13-16(2)32(23)27(34)30-18-6-7-18;1-15-11-16-12-18(5-6-22(16)31(15)26(33)29-17-3-4-17)28-20-7-9-27-21-13-23(35-24(20)21)25(32)30-10-8-19(14-30)34-2;1-14-11-15-12-17(5-6-20(15)30(14)24(31)28-16-3-4-16)27-18-7-8-25-19-13-21(32-22(18)19)23-26-9-10-29(23)2/h7-10,12-14,18,20H,3-6,11,15H2,1-2H3,(H,28,29)(H,30,34);8-11,13-15,18,20H,3-7,12H2,1-2H3,(H,28,29)(H,30,34);5-7,9,11-13,17,19H,3-4,8,10,14H2,1-2H3,(H,27,28)(H,29,33);5-13,16H,3-4H2,1-2H3,(H,25,27)(H,28,31)/t2*20-;19-;/m110./s1
InChIKeyRDGFYTRNRKVFJF-TXBYVBNHSA-N
MW1923.41 g/mol
LogP21.62
Rot. Bonds20

About N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide

N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide (PubChem CID 90913184) has the molecular formula C104H107N21O9S4 and a molecular weight of 1923.41 g/mol. Its IUPAC name is N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide
PubChem CID90913184
Molecular FormulaC104H107N21O9S4
Molecular Weight1923.41 g/mol
Exact Mass1921.74
IUPAC NameN-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide
SMILESCC[C@@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)NC3CC3)c2s1.COC[C@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)NC3CC3)c2s1.CO[C@H]1CCN(C(=O)c2cc3nccc(Nc4ccc5c(c4)cc(C)n5C(=O)NC4CC4)c3s2)C1.Cc1cc2cc(Nc3ccnc4cc(-c5nccn5C)sc34)ccc2n1C(=O)NC1CC1
InChIInChI=1S/C27H29N5O3S.C27H29N5O2S.C26H27N5O3S.C24H22N6OS/c1-16-12-17-13-19(7-8-23(17)32(16)27(34)30-18-5-6-18)29-21-9-10-28-22-14-24(36-25(21)22)26(33)31-11-3-4-20(31)15-35-2;1-3-20-5-4-12-31(20)26(33)24-15-22-25(35-24)21(10-11-28-22)29-19-8-9-23-17(14-19)13-16(2)32(23)27(34)30-18-6-7-18;1-15-11-16-12-18(5-6-22(16)31(15)26(33)29-17-3-4-17)28-20-7-9-27-21-13-23(35-24(20)21)25(32)30-10-8-19(14-30)34-2;1-14-11-15-12-17(5-6-20(15)30(14)24(31)28-16-3-4-16)27-18-7-8-25-19-13-21(32-22(18)19)23-26-9-10-29(23)2/h7-10,12-14,18,20H,3-6,11,15H2,1-2H3,(H,28,29)(H,30,34);8-11,13-15,18,20H,3-7,12H2,1-2H3,(H,28,29)(H,30,34);5-7,9,11-13,17,19H,3-4,8,10,14H2,1-2H3,(H,27,28)(H,29,33);5-13,16H,3-4H2,1-2H3,(H,25,27)(H,28,31)/t2*20-;19-;/m110./s1
InChIKeyRDGFYTRNRKVFJF-TXBYVBNHSA-N
XLogP21.62
TPSA333.01 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001923.41
LogP ≤ 521.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide with MolForge

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Related Compounds

bis((3-hydroxypyrrolidin-1-yl)-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone);[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 88089675
[(3R)-3-hydroxypyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone;[(3S)-3-hydroxypyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone;[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 88089676
(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyridin-3-ylthiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 158002280
N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide
CID 158140149
N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide
CID 158232963
(2R)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-5-hydroxy-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]pentanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 158484891
4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 160292590
2-[(2R,4R)-1-[7-[[1-(2-cyclopropylacetyl)-2-methylindol-5-yl]amino]thieno[3,2-b]pyridine-2-carbonyl]-4-methoxypyrrolidin-2-yl]acetonitrile;2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone;2-cyclopropyl-1-[5-[[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone
CID 160410598
N-(2-aminophenyl)-5-[[5-[7-(cyclopropylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-(cyclopropylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[5-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[6-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[8-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
CID 160860134
N-cyclopropyl-5-[[2-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide;5-[[2-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide;5-[[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide;5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
CID 161523459
N-cyclopropyl-5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;5-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide;5-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-prop-2-ynylindole-1-carboxamide;5-[[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide;5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
CID 161604490
(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 162155527

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide (CID 90913184) is N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide is CC[C@@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)NC3CC3)c2s1.COC[C@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)NC3CC3)c2s1.CO[C@H]1CCN(C(=O)c2cc3nccc(Nc4ccc5c(c4)cc(C)n5C(=O)NC4CC4)c3s2)C1.Cc1cc2cc(Nc3ccnc4cc(-c5nccn5C)sc34)ccc2n1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide?
The InChIKey is RDGFYTRNRKVFJF-TXBYVBNHSA-N. The full InChI is InChI=1S/C27H29N5O3S.C27H29N5O2S.C26H27N5O3S.C24H22N6OS/c1-16-12-17-13-19(7-8-23(17)32(16)27(34)30-18-5-6-18)29-21-9-10-28-22-14-24(36-25(21)22)26(33)31-11-3-4-20(31)15-35-2;1-3-20-5-4-12-31(20)26(33)24-15-22-25(35-24)21(10-11-28-22)29-19-8-9-23-17(14-19)13-16(2)32(23)27(34)30-18-6-7-18;1-15-11-16-12-18(5-6-22(16)31(15)26(33)29-17-3-4-17)28-20-7-9-27-21-13-23(35-24(20)21)25(32)30-10-8-19(14-30)34-2;1-14-11-15-12-17(5-6-20(15)30(14)24(31)28-16-3-4-16)27-18-7-8-25-19-13-21(32-22(18)19)23-26-9-10-29(23)2/h7-10,12-14,18,20H,3-6,11,15H2,1-2H3,(H,28,29)(H,30,34);8-11,13-15,18,20H,3-7,12H2,1-2H3,(H,28,29)(H,30,34);5-7,9,11-13,17,19H,3-4,8,10,14H2,1-2H3,(H,27,28)(H,29,33);5-13,16H,3-4H2,1-2H3,(H,25,27)(H,28,31)/t2*20-;19-;/m110./s1.
What are the key properties of N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide?
N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide has a molecular weight of 1923.41 g/mol, XLogP of 21.62, 20 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide is sourced from PubChem (CID 90913184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).