1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C109H111F8N15O9 — CID 159148671

IUPAC1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)COc1cnc2c(c1)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1cccnc1.CC(C)Oc1nc2c(cc1O)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)cnc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(OC3CCCC3)ncc2n1Cc1ccccn1
InChIInChI=1S/C29H30F2N4O2.C28H30F2N4O2.C28H29F2N3O3.C24H22F2N4O2/c1-18(2)28-27(29(36)34-15-19-10-11-23(30)24(31)13-19)22-14-26(37-21-8-3-4-9-21)33-16-25(22)35(28)17-20-7-5-6-12-32-20;1-17(2)16-36-21-11-22-25(28(35)33-13-19-7-8-23(29)24(30)10-19)26(18(3)4)34(27(22)32-14-21)15-20-6-5-9-31-12-20;1-16(2)25-24(27(35)31-14-19-10-11-21(29)22(30)12-19)20-13-23(34)28(36-17(3)4)32-26(20)33(25)15-18-8-6-5-7-9-18;1-14(2)22-21(24(32)29-11-15-6-7-19(25)20(26)9-15)18-10-17(31)12-28-23(18)30(22)13-16-5-3-4-8-27-16/h5-7,10-14,16,18,21H,3-4,8-9,15,17H2,1-2H3,(H,34,36);5-12,14,17-18H,13,15-16H2,1-4H3,(H,33,35);5-13,16-17,34H,14-15H2,1-4H3,(H,31,35);3-10,12,14,31H,11,13H2,1-2H3,(H,29,32)
InChIKeyKIZQECJTVBOTQY-UHFFFAOYSA-N
MW1927.17 g/mol
LogP22.40
Rot. Bonds31

About 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 159148671) has the molecular formula C109H111F8N15O9 and a molecular weight of 1927.17 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID159148671
Molecular FormulaC109H111F8N15O9
Molecular Weight1927.17 g/mol
Exact Mass1925.86
IUPAC Name1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(C)COc1cnc2c(c1)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1cccnc1.CC(C)Oc1nc2c(cc1O)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)cnc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(OC3CCCC3)ncc2n1Cc1ccccn1
InChIInChI=1S/C29H30F2N4O2.C28H30F2N4O2.C28H29F2N3O3.C24H22F2N4O2/c1-18(2)28-27(29(36)34-15-19-10-11-23(30)24(31)13-19)22-14-26(37-21-8-3-4-9-21)33-16-25(22)35(28)17-20-7-5-6-12-32-20;1-17(2)16-36-21-11-22-25(28(35)33-13-19-7-8-23(29)24(30)10-19)26(18(3)4)34(27(22)32-14-21)15-20-6-5-9-31-12-20;1-16(2)25-24(27(35)31-14-19-10-11-21(29)22(30)12-19)20-13-23(34)28(36-17(3)4)32-26(20)33(25)15-18-8-6-5-7-9-18;1-14(2)22-21(24(32)29-11-15-6-7-19(25)20(26)9-15)18-10-17(31)12-28-23(18)30(22)13-16-5-3-4-8-27-16/h5-7,10-14,16,18,21H,3-4,8-9,15,17H2,1-2H3,(H,34,36);5-12,14,17-18H,13,15-16H2,1-4H3,(H,33,35);5-13,16-17,34H,14-15H2,1-4H3,(H,31,35);3-10,12,14,31H,11,13H2,1-2H3,(H,29,32)
InChIKeyKIZQECJTVBOTQY-UHFFFAOYSA-N
XLogP22.40
TPSA294.50 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001927.17
LogP ≤ 522.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 58526621
5-(3-cyclopentylimidazo[1,5-a]pyridin-8-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(2,3,4,6-tetradeuterio-5-methylphenyl)pyridine-3-carboxamide;2-methyl-N-(4-methylphenyl)-5-[3-(oxan-4-yl)imidazo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 157838085
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 157894266
CID 158517553
CID 158517553
N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-[5-(difluoromethoxy)-2-pyridinyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 159689310
6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 160015838
6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-[2-(difluoromethoxy)-4-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(6-ethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;N-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-methyl-2-pyridinyl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 160235506
5-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4,4-difluoropentan-1-one;tert-butyl 5-amino-4,4-difluoropentanoate;tert-butyl N-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2,2-difluoro-5-oxopentyl]carbamate;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 160408657
3-amino-1,1,1-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]propan-2-ol;4-fluorobenzoic acid;3-(4-fluorophenyl)imidazo[1,5-a]pyridine;1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]ethanone;3-(4-fluorophenyl)-1-(2-methyloxiran-2-yl)imidazo[1,5-a]pyridine;4-fluoro-N-(pyridin-2-ylmethyl)benzamide;pyridin-2-ylmethanamine;5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 161026421
N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[5-(1-fluoroethoxy)-2-pyridinyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide
CID 161594955
5-(3-cyclopentylimidazo[1,5-a]pyridin-8-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(2,3,6-trideuterio-4-fluoro-5-methylphenyl)pyridine-3-carboxamide;2-methyl-N-(4-methylphenyl)-5-[3-(oxan-4-yl)imidazo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 161945930
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-[3-(cyclohexylmethoxy)phenyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;cyclohexyl-[4-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]piperazin-1-yl]methanone;[3-[hydroxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylbenzoyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-[1-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)oxane-4-carboxamide
CID 157169588

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 159148671) is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CC(C)COc1cnc2c(c1)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1cccnc1.CC(C)Oc1nc2c(cc1O)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)cnc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(OC3CCCC3)ncc2n1Cc1ccccn1.
What is the InChIKey of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is KIZQECJTVBOTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N4O2.C28H30F2N4O2.C28H29F2N3O3.C24H22F2N4O2/c1-18(2)28-27(29(36)34-15-19-10-11-23(30)24(31)13-19)22-14-26(37-21-8-3-4-9-21)33-16-25(22)35(28)17-20-7-5-6-12-32-20;1-17(2)16-36-21-11-22-25(28(35)33-13-19-7-8-23(29)24(30)10-19)26(18(3)4)34(27(22)32-14-21)15-20-6-5-9-31-12-20;1-16(2)25-24(27(35)31-14-19-10-11-21(29)22(30)12-19)20-13-23(34)28(36-17(3)4)32-26(20)33(25)15-18-8-6-5-7-9-18;1-14(2)22-21(24(32)29-11-15-6-7-19(25)20(26)9-15)18-10-17(31)12-28-23(18)30(22)13-16-5-3-4-8-27-16/h5-7,10-14,16,18,21H,3-4,8-9,15,17H2,1-2H3,(H,34,36);5-12,14,17-18H,13,15-16H2,1-4H3,(H,33,35);5-13,16-17,34H,14-15H2,1-4H3,(H,31,35);3-10,12,14,31H,11,13H2,1-2H3,(H,29,32).
What are the key properties of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 1927.17 g/mol, XLogP of 22.40, 31 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-6-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxamide;5-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 159148671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).