1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide

C115H109F8N17O7S — CID 157201966

IUPAC1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2n1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCCC3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)nc2n1Cc1ccccn1.O=C(NCc1cc(F)cc(F)c1)c1c(C2CCC2)n(Cc2ccccc2)c2nc(Oc3cccnc3)ccc12
InChIInChI=1S/C31H26F2N4O2.C29H31F2N5O.C28H29F2N3O2.C27H23F2N5O2S/c32-23-14-21(15-24(33)16-23)17-35-31(38)28-26-11-12-27(39-25-10-5-13-34-18-25)36-30(26)37(29(28)22-8-4-9-22)19-20-6-2-1-3-7-20;1-18(2)27-26(29(37)33-16-19-10-12-23(30)24(31)15-19)22-11-13-25(34-20-7-3-4-8-20)35-28(22)36(27)17-21-9-5-6-14-32-21;1-17(2)26-25(28(34)31-15-20-10-12-22(29)23(30)14-20)21-11-13-24(35-18(3)4)32-27(21)33(26)16-19-8-6-5-7-9-19;1-16(2)24-23(26(35)32-14-17-6-8-20(28)21(29)13-17)19-7-9-22(36-27-31-11-12-37-27)33-25(19)34(24)15-18-5-3-4-10-30-18/h1-3,5-7,10-16,18,22H,4,8-9,17,19H2,(H,35,38);5-6,9-15,18,20H,3-4,7-8,16-17H2,1-2H3,(H,33,37)(H,34,35);5-14,17-18H,15-16H2,1-4H3,(H,31,34);3-13,16H,14-15H2,1-2H3,(H,32,35)
InChIKeyAQWZVQKIEAXMGA-UHFFFAOYSA-N
MW2025.30 g/mol
LogP25.18
Rot. Bonds32

About 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide

1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 157201966) has the molecular formula C115H109F8N17O7S and a molecular weight of 2025.30 g/mol. Its IUPAC name is 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID157201966
Molecular FormulaC115H109F8N17O7S
Molecular Weight2025.30 g/mol
Exact Mass2023.83
IUPAC Name1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2n1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCCC3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)nc2n1Cc1ccccn1.O=C(NCc1cc(F)cc(F)c1)c1c(C2CCC2)n(Cc2ccccc2)c2nc(Oc3cccnc3)ccc12
InChIInChI=1S/C31H26F2N4O2.C29H31F2N5O.C28H29F2N3O2.C27H23F2N5O2S/c32-23-14-21(15-24(33)16-23)17-35-31(38)28-26-11-12-27(39-25-10-5-13-34-18-25)36-30(26)37(29(28)22-8-4-9-22)19-20-6-2-1-3-7-20;1-18(2)27-26(29(37)33-16-19-10-12-23(30)24(31)15-19)22-11-13-25(34-20-7-3-4-8-20)35-28(22)36(27)17-21-9-5-6-14-32-21;1-17(2)26-25(28(34)31-15-20-10-12-22(29)23(30)14-20)21-11-13-24(35-18(3)4)32-27(21)33(26)16-19-8-6-5-7-9-19;1-16(2)24-23(26(35)32-14-17-6-8-20(28)21(29)13-17)19-7-9-22(36-27-31-11-12-37-27)33-25(19)34(24)15-18-5-3-4-10-30-18/h1-3,5-7,10-16,18,22H,4,8-9,17,19H2,(H,35,38);5-6,9-15,18,20H,3-4,7-8,16-17H2,1-2H3,(H,33,37)(H,34,35);5-14,17-18H,15-16H2,1-4H3,(H,31,34);3-13,16H,14-15H2,1-2H3,(H,32,35)
InChIKeyAQWZVQKIEAXMGA-UHFFFAOYSA-N
XLogP25.18
TPSA278.96 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002025.30
LogP ≤ 525.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
6-[4-(1-Acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 158555264
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide;(2S)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-(1-imidazo[1,2-a]pyridin-2-ylethenyl)-1-methoxypropan-2-amine;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethenamine;methane
CID 159638764
6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(1,3-oxazol-5-yl)imidazol-2-yl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 159920492
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 160676374
6-(6-Cyclopentyl-4-methyl-3-pyridinyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-6-pyridin-4-yl-1,2-dihydropyridin-3-yl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 160979486
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-[(2S)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 162197497
N-(2-aminophenyl)-4-[[4-(5-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(6-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(7-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(8-cyclobutyloxyimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(5-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(8-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 157392474
5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-pyridin-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 157739668
[2-(1-Methylimidazol-2-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[4-methyl-3-(1,3-thiazol-2-yl)-2-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(1,3-thiazol-2-yl)-3-pyridinyl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(1,3-thiazol-2-yl)-2-pyridinyl]methanone
CID 157838949
6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridin-5-ium-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 158178535

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 157201966) is 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2n1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCCC3)nc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)nc2n1Cc1ccccn1.O=C(NCc1cc(F)cc(F)c1)c1c(C2CCC2)n(Cc2ccccc2)c2nc(Oc3cccnc3)ccc12.
What is the InChIKey of 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is AQWZVQKIEAXMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N4O2.C29H31F2N5O.C28H29F2N3O2.C27H23F2N5O2S/c32-23-14-21(15-24(33)16-23)17-35-31(38)28-26-11-12-27(39-25-10-5-13-34-18-25)36-30(26)37(29(28)22-8-4-9-22)19-20-6-2-1-3-7-20;1-18(2)27-26(29(37)33-16-19-10-12-23(30)24(31)15-19)22-11-13-25(34-20-7-3-4-8-20)35-28(22)36(27)17-21-9-5-6-14-32-21;1-17(2)26-25(28(34)31-15-20-10-12-22(29)23(30)14-20)21-11-13-24(35-18(3)4)32-27(21)33(26)16-19-8-6-5-7-9-19;1-16(2)24-23(26(35)32-14-17-6-8-20(28)21(29)13-17)19-7-9-22(36-27-31-11-12-37-27)33-25(19)34(24)15-18-5-3-4-10-30-18/h1-3,5-7,10-16,18,22H,4,8-9,17,19H2,(H,35,38);5-6,9-15,18,20H,3-4,7-8,16-17H2,1-2H3,(H,33,37)(H,34,35);5-14,17-18H,15-16H2,1-4H3,(H,31,34);3-13,16H,14-15H2,1-2H3,(H,32,35).
What are the key properties of 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2025.30 g/mol, XLogP of 25.18, 32 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-cyclobutyl-N-[(3,5-difluorophenyl)methyl]-6-pyridin-3-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;6-(cyclopentylamino)-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 157201966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).