5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C26H22Cl2N6O — CID 59436296

IUPAC5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1[nH]c2nc(CNC(=O)c3cc(-c4cc(Cl)cc(Cl)c4)cnc3-c3cnn(C)c3)ccc2c1C
InChIInChI=1S/C26H22Cl2N6O/c1-14-15(2)32-25-22(14)5-4-21(33-25)12-30-26(35)23-8-17(16-6-19(27)9-20(28)7-16)10-29-24(23)18-11-31-34(3)13-18/h4-11,13H,12H2,1-3H3,(H,30,35)(H,32,33)
InChIKeyVIHQUMCKXZZCNP-UHFFFAOYSA-N
MW505.41 g/mol
LogP5.88
Rot. Bonds5

About 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 59436296) has the molecular formula C26H22Cl2N6O and a molecular weight of 505.41 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID59436296
Molecular FormulaC26H22Cl2N6O
Molecular Weight505.41 g/mol
Exact Mass504.12
IUPAC Name5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1[nH]c2nc(CNC(=O)c3cc(-c4cc(Cl)cc(Cl)c4)cnc3-c3cnn(C)c3)ccc2c1C
InChIInChI=1S/C26H22Cl2N6O/c1-14-15(2)32-25-22(14)5-4-21(33-25)12-30-26(35)23-8-17(16-6-19(27)9-20(28)7-16)10-29-24(23)18-11-31-34(3)13-18/h4-11,13H,12H2,1-3H3,(H,30,35)(H,32,33)
InChIKeyVIHQUMCKXZZCNP-UHFFFAOYSA-N
XLogP5.88
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.41
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide 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

5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
CID 25225135
5-[3-(chloromethyl)phenyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 67345262
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060903
5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266
N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635424
2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122246619
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635114
2,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]furan-3-carboxamide
CID 122275217
3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide
CID 66995319
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 136533988

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 59436296) is 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cc1[nH]c2nc(CNC(=O)c3cc(-c4cc(Cl)cc(Cl)c4)cnc3-c3cnn(C)c3)ccc2c1C.
What is the InChIKey of 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is VIHQUMCKXZZCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N6O/c1-14-15(2)32-25-22(14)5-4-21(33-25)12-30-26(35)23-8-17(16-6-19(27)9-20(28)7-16)10-29-24(23)18-11-31-34(3)13-18/h4-11,13H,12H2,1-3H3,(H,30,35)(H,32,33).
What are the key properties of 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 505.41 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 59436296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).