3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C25H28ClN5O2 — CID 50834978

About 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 50834978) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 50834978
• Molecular Formula: C25H28ClN5O2
• Molecular Weight: 465.99 g/mol
• Exact Mass: 465.19
• IUPAC Name: 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CC(C)NC(=O)N1CCc2c(c(CN(C(=O)c3ccccc3Cl)c3ccccc3)nn2C)C1
• InChI: InChI=1S/C25H28ClN5O2/c1-17(2)27-25(33)30-14-13-23-20(15-30)22(28-29(23)3)16-31(18-9-5-4-6-10-18)24(32)19-11-7-8-12-21(19)26/h4-12,17H,13-16H2,1-3H3,(H,27,33)
• InChIKey: DYHCORURWSBJIW-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.99
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 50834978) is 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CC(C)NC(=O)N1CCc2c(c(CN(C(=O)c3ccccc3Cl)c3ccccc3)nn2C)C1.

What is the InChIKey of 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is DYHCORURWSBJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-17(2)27-25(33)30-14-13-23-20(15-30)22(28-29(23)3)16-31(18-9-5-4-6-10-18)24(32)19-11-7-8-12-21(19)26/h4-12,17H,13-16H2,1-3H3,(H,27,33).

What are the key properties of 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 465.99 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(N-(2-chlorobenzoyl)anilino)methyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 50834978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).