2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide

C20H21ClN6O2 — CID 134278554

About 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide

2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (PubChem CID 134278554) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
• PubChem CID: 134278554
• Molecular Formula: C20H21ClN6O2
• Molecular Weight: 412.88 g/mol
• Exact Mass: 412.14
• IUPAC Name: 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
• SMILES: Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C)n(C)n1
• InChI: InChI=1S/C20H21ClN6O2/c1-12-10-16(25(2)24-12)20(29)27-9-8-15(18-17(27)11-22-26(18)3)23-19(28)13-6-4-5-7-14(13)21/h4-7,10-11,15H,8-9H2,1-3H3,(H,23,28)
• InChIKey: ZWURPQKFIKLAKF-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.88
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?

The IUPAC name of 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (CID 134278554) is 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?

The canonical SMILES for 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C)n(C)n1.

What is the InChIKey of 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?

The InChIKey is ZWURPQKFIKLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-12-10-16(25(2)24-12)20(29)27-9-8-15(18-17(27)11-22-26(18)3)23-19(28)13-6-4-5-7-14(13)21/h4-7,10-11,15H,8-9H2,1-3H3,(H,23,28).

What are the key properties of 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?

2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide has a molecular weight of 412.88 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 134278554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).