N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one

C175H177Cl2N39O10S2 — CID 160676591

IUPACN-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one
SMILESCCCCNC(=O)n1nc(C)c(Cc2c[nH]c3ncccc23)c1C.CCCCS(=O)(=O)n1nc(C)c(Cc2c[nH]c3ncccc23)c1C.COC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.Cc1nn(-c2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)CCc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)NCc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)Nc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)c2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(S(=O)(=O)Cc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12
InChIInChI=1S/C22H22N4O.C21H21N5O.C20H19N5O.C20H20N4O2S.C20H18N4O.C19H17ClN4O.C18H15ClN4.C18H23N5O.C17H22N4O2S/c1-15-20(13-18-14-24-22-19(18)9-6-12-23-22)16(2)26(25-15)21(27)11-10-17-7-4-3-5-8-17;1-14-19(11-17-13-23-20-18(17)9-6-10-22-20)15(2)26(25-14)21(27)24-12-16-7-4-3-5-8-16;1-13-18(11-15-12-22-19-17(15)9-6-10-21-19)14(2)25(24-13)20(26)23-16-7-4-3-5-8-16;1-14-19(11-17-12-22-20-18(17)9-6-10-21-20)15(2)24(23-14)27(25,26)13-16-7-4-3-5-8-16;1-13-18(11-16-12-22-19-17(16)9-6-10-21-19)14(2)24(23-13)20(25)15-7-4-3-5-8-15;1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19;1-12-16(10-13-11-21-18-15(13)8-5-9-20-18)17(19)23(22-12)14-6-3-2-4-7-14;1-4-5-8-20-18(24)23-13(3)16(12(2)22-23)10-14-11-21-17-15(14)7-6-9-19-17;1-4-5-9-24(22,23)21-13(3)16(12(2)20-21)10-14-11-19-17-15(14)7-6-8-18-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24);3-10,13H,11-12H2,1-2H3,(H,22,23)(H,24,27);3-10,12H,11H2,1-2H3,(H,21,22)(H,23,26);3-10,12H,11,13H2,1-2H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,21,22);3-11,17H,1-2H3,(H,21,22);2-9,11H,10H2,1H3,(H,20,21);6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,21)(H,20,24);6-8,11H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyRNPKVFUEQQILOE-UHFFFAOYSA-N
MW3121.64 g/mol
LogP34.03
Rot. Bonds38

About N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one

N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one (PubChem CID 160676591) has the molecular formula C175H177Cl2N39O10S2 and a molecular weight of 3121.64 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one
PubChem CID160676591
Molecular FormulaC175H177Cl2N39O10S2
Molecular Weight3121.64 g/mol
Exact Mass3118.34
IUPAC NameN-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one
SMILESCCCCNC(=O)n1nc(C)c(Cc2c[nH]c3ncccc23)c1C.CCCCS(=O)(=O)n1nc(C)c(Cc2c[nH]c3ncccc23)c1C.COC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.Cc1nn(-c2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)CCc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)NCc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)Nc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)c2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(S(=O)(=O)Cc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12
InChIInChI=1S/C22H22N4O.C21H21N5O.C20H19N5O.C20H20N4O2S.C20H18N4O.C19H17ClN4O.C18H15ClN4.C18H23N5O.C17H22N4O2S/c1-15-20(13-18-14-24-22-19(18)9-6-12-23-22)16(2)26(25-15)21(27)11-10-17-7-4-3-5-8-17;1-14-19(11-17-13-23-20-18(17)9-6-10-22-20)15(2)26(25-14)21(27)24-12-16-7-4-3-5-8-16;1-13-18(11-15-12-22-19-17(15)9-6-10-21-19)14(2)25(24-13)20(26)23-16-7-4-3-5-8-16;1-14-19(11-17-12-22-20-18(17)9-6-10-21-20)15(2)24(23-14)27(25,26)13-16-7-4-3-5-8-16;1-13-18(11-16-12-22-19-17(16)9-6-10-21-19)14(2)24(23-13)20(25)15-7-4-3-5-8-15;1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19;1-12-16(10-13-11-21-18-15(13)8-5-9-20-18)17(19)23(22-12)14-6-3-2-4-7-14;1-4-5-8-20-18(24)23-13(3)16(12(2)22-23)10-14-11-21-17-15(14)7-6-9-19-17;1-4-5-9-24(22,23)21-13(3)16(12(2)20-21)10-14-11-19-17-15(14)7-6-8-18-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24);3-10,13H,11-12H2,1-2H3,(H,22,23)(H,24,27);3-10,12H,11H2,1-2H3,(H,21,22)(H,23,26);3-10,12H,11,13H2,1-2H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,21,22);3-11,17H,1-2H3,(H,21,22);2-9,11H,10H2,1H3,(H,20,21);6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,21)(H,20,24);6-8,11H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyRNPKVFUEQQILOE-UHFFFAOYSA-N
XLogP34.03
TPSA617.45 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds38
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003121.64
LogP ≤ 534.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one?
The IUPAC name of N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one (CID 160676591) is N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one is CCCCNC(=O)n1nc(C)c(Cc2c[nH]c3ncccc23)c1C.CCCCS(=O)(=O)n1nc(C)c(Cc2c[nH]c3ncccc23)c1C.COC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.Cc1nn(-c2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)CCc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)NCc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)Nc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)c2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(S(=O)(=O)Cc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.
What is the InChIKey of N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one?
The InChIKey is RNPKVFUEQQILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.C21H21N5O.C20H19N5O.C20H20N4O2S.C20H18N4O.C19H17ClN4O.C18H15ClN4.C18H23N5O.C17H22N4O2S/c1-15-20(13-18-14-24-22-19(18)9-6-12-23-22)16(2)26(25-15)21(27)11-10-17-7-4-3-5-8-17;1-14-19(11-17-13-23-20-18(17)9-6-10-22-20)15(2)26(25-14)21(27)24-12-16-7-4-3-5-8-16;1-13-18(11-15-12-22-19-17(15)9-6-10-21-19)14(2)25(24-13)20(26)23-16-7-4-3-5-8-16;1-14-19(11-17-12-22-20-18(17)9-6-10-21-20)15(2)24(23-14)27(25,26)13-16-7-4-3-5-8-16;1-13-18(11-16-12-22-19-17(16)9-6-10-21-19)14(2)24(23-13)20(25)15-7-4-3-5-8-15;1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19;1-12-16(10-13-11-21-18-15(13)8-5-9-20-18)17(19)23(22-12)14-6-3-2-4-7-14;1-4-5-8-20-18(24)23-13(3)16(12(2)22-23)10-14-11-21-17-15(14)7-6-9-19-17;1-4-5-9-24(22,23)21-13(3)16(12(2)20-21)10-14-11-19-17-15(14)7-6-8-18-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24);3-10,13H,11-12H2,1-2H3,(H,22,23)(H,24,27);3-10,12H,11H2,1-2H3,(H,21,22)(H,23,26);3-10,12H,11,13H2,1-2H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,21,22);3-11,17H,1-2H3,(H,21,22);2-9,11H,10H2,1H3,(H,20,21);6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,21)(H,20,24);6-8,11H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one?
N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one has a molecular weight of 3121.64 g/mol, XLogP of 34.03, 38 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 160676591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).