2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide

C18H16N6O — CID 168854111

IUPAC2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCc1ccccc1-c1cc2cnc(NC(=O)c3ccnn3C)nc2[nH]1
InChIInChI=1S/C18H16N6O/c1-11-5-3-4-6-13(11)14-9-12-10-19-18(22-16(12)21-14)23-17(25)15-7-8-20-24(15)2/h3-10H,1-2H3,(H2,19,21,22,23,25)
InChIKeyQNQGDEGKJBQQHM-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.92
Rot. Bonds3

About 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide

2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide (PubChem CID 168854111) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide
PubChem CID168854111
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCc1ccccc1-c1cc2cnc(NC(=O)c3ccnn3C)nc2[nH]1
InChIInChI=1S/C18H16N6O/c1-11-5-3-4-6-13(11)14-9-12-10-19-18(22-16(12)21-14)23-17(25)15-7-8-20-24(15)2/h3-10H,1-2H3,(H2,19,21,22,23,25)
InChIKeyQNQGDEGKJBQQHM-UHFFFAOYSA-N
XLogP2.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-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

tert-butyl 6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 2-(2-methylphenyl)-6-[(2-methylpyrazole-3-carbonyl)amino]pyrrolo[3,2-c]pyridine-1-carboxylate;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-3-carboxamide
CID 159647921
2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide
CID 166871048
2-methyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 6468673
2-methyl-N-[2-methyl-4-[(2-methylphenoxy)methyl]phenyl]pyrazole-3-carboxamide
CID 137498259
4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 76683517
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
CID 114051088
2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide
CID 112523655
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide
CID 166870985
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
CID 142414631
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62918927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide (CID 168854111) is 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide is Cc1ccccc1-c1cc2cnc(NC(=O)c3ccnn3C)nc2[nH]1.
What is the InChIKey of 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide?
The InChIKey is QNQGDEGKJBQQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11-5-3-4-6-13(11)14-9-12-10-19-18(22-16(12)21-14)23-17(25)15-7-8-20-24(15)2/h3-10H,1-2H3,(H2,19,21,22,23,25).
What are the key properties of 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 168854111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).