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]-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

C112H102F8N20O6S2 — CID 158310065

IUPAC5-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]-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
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(-c3ccccn3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(NC3CCCC3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)nc2n1Cc1ccccc1
InChIInChI=1S/C29H25F2N5O.C29H31F2N5O.2C27H23F2N5O2S/c1-18(2)28-26(29(37)35-15-19-9-10-22(30)23(31)13-19)27-25(36(28)17-21-7-3-5-11-32-21)14-20(16-34-27)24-8-4-6-12-33-24;1-18(2)28-26(29(37)34-15-19-10-11-23(30)24(31)13-19)27-25(36(28)17-21-9-5-6-12-32-21)14-22(16-33-27)35-20-7-3-4-8-20;1-16(2)25-23(26(35)33-13-17-6-7-20(28)21(29)11-17)24-22(34(25)15-18-5-3-4-8-30-18)12-19(14-32-24)36-27-31-9-10-37-27;1-16(2)24-22(26(35)32-13-18-8-9-19(28)20(29)12-18)23-25(34(24)15-17-6-4-3-5-7-17)33-21(14-31-23)36-27-30-10-11-37-27/h3-14,16,18H,15,17H2,1-2H3,(H,35,37);5-6,9-14,16,18,20,35H,3-4,7-8,15,17H2,1-2H3,(H,34,37);3-12,14,16H,13,15H2,1-2H3,(H,33,35);3-12,14,16H,13,15H2,1-2H3,(H,32,35)
InChIKeyGNOMIEQVGYYNBY-UHFFFAOYSA-N
MW2040.30 g/mol
LogP24.16
Rot. Bonds31

About 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]-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

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]-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 (PubChem CID 158310065) has the molecular formula C112H102F8N20O6S2 and a molecular weight of 2040.30 g/mol. Its IUPAC name is 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]-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.

Molecular Properties

Compound Name5-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]-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
PubChem CID158310065
Molecular FormulaC112H102F8N20O6S2
Molecular Weight2040.30 g/mol
Exact Mass2038.76
IUPAC Name5-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]-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
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(-c3ccccn3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(NC3CCCC3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)nc2n1Cc1ccccc1
InChIInChI=1S/C29H25F2N5O.C29H31F2N5O.2C27H23F2N5O2S/c1-18(2)28-26(29(37)35-15-19-9-10-22(30)23(31)13-19)27-25(36(28)17-21-7-3-5-11-32-21)14-20(16-34-27)24-8-4-6-12-33-24;1-18(2)28-26(29(37)34-15-19-10-11-23(30)24(31)13-19)27-25(36(28)17-21-9-5-6-12-32-21)14-22(16-33-27)35-20-7-3-4-8-20;1-16(2)25-23(26(35)33-13-17-6-7-20(28)21(29)11-17)24-22(34(25)15-18-5-3-4-8-30-18)12-19(14-32-24)36-27-31-9-10-37-27;1-16(2)24-22(26(35)32-13-18-8-9-19(28)20(29)12-18)23-25(34(24)15-17-6-4-3-5-7-17)33-21(14-31-23)36-27-30-10-11-37-27/h3-14,16,18H,15,17H2,1-2H3,(H,35,37);5-6,9-14,16,18,20,35H,3-4,7-8,15,17H2,1-2H3,(H,34,37);3-12,14,16H,13,15H2,1-2H3,(H,33,35);3-12,14,16H,13,15H2,1-2H3,(H,32,35)
InChIKeyGNOMIEQVGYYNBY-UHFFFAOYSA-N
XLogP24.16
TPSA308.40 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002040.30
LogP ≤ 524.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 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]-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 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-Cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158413340
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
8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(1,2-oxazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 159084449
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
N-(2-aminophenyl)-5-[[5-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[5-[2-methyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
CID 160082006
8-(6-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(5-methyl-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyrimidin-5-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-8-[2-(trifluoromethyl)-4-pyridinyl]isoquinolin-1-one
CID 160516193
N-(2-aminophenyl)-5-[[4-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[2-methyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
CID 160607727
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
N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-methyl-4-[[4-[2-methyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-methyl-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 161052952
4-(difluoromethoxy)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;8-[3-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methylpyrazine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(oxetan-3-ylamino)pyridine-2-carboxamide;6-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-1,3-benzothiazol-4-yl]pyridine-2-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(trifluoromethyl)-7H-cyclopenta[c]pyridine-1-carboxamide
CID 161944474

Frequently Asked Questions

What is the IUPAC name of 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]-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?
The IUPAC name of 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]-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 158310065) is 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]-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.
What is the SMILES notation for 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]-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?
The canonical SMILES for 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]-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 is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(-c3ccccn3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(NC3CCCC3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)nc2n1Cc1ccccc1.
What is the InChIKey of 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]-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?
The InChIKey is GNOMIEQVGYYNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O.C29H31F2N5O.2C27H23F2N5O2S/c1-18(2)28-26(29(37)35-15-19-9-10-22(30)23(31)13-19)27-25(36(28)17-21-7-3-5-11-32-21)14-20(16-34-27)24-8-4-6-12-33-24;1-18(2)28-26(29(37)34-15-19-10-11-23(30)24(31)13-19)27-25(36(28)17-21-9-5-6-12-32-21)14-22(16-33-27)35-20-7-3-4-8-20;1-16(2)25-23(26(35)33-13-17-6-7-20(28)21(29)11-17)24-22(34(25)15-18-5-3-4-8-30-18)12-19(14-32-24)36-27-31-9-10-37-27;1-16(2)24-22(26(35)32-13-18-8-9-19(28)20(29)12-18)23-25(34(24)15-17-6-4-3-5-7-17)33-21(14-31-23)36-27-30-10-11-37-27/h3-14,16,18H,15,17H2,1-2H3,(H,35,37);5-6,9-14,16,18,20,35H,3-4,7-8,15,17H2,1-2H3,(H,34,37);3-12,14,16H,13,15H2,1-2H3,(H,33,35);3-12,14,16H,13,15H2,1-2H3,(H,32,35).
What are the key properties of 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]-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?
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]-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 has a molecular weight of 2040.30 g/mol, XLogP of 24.16, 31 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-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 is sourced from PubChem (CID 158310065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).