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

C27H25FN6O2 — CID 50834999

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

3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 50834999) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 50834999
• Molecular Formula: C27H25FN6O2
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.20
• IUPAC Name: 3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(C(=O)Nc1cccnc1)C2
• InChI: InChI=1S/C27H25FN6O2/c1-32-25-13-15-33(27(36)30-21-6-5-14-29-16-21)17-23(25)24(31-32)18-34(22-7-3-2-4-8-22)26(35)19-9-11-20(28)12-10-19/h2-12,14,16H,13,15,17-18H2,1H3,(H,30,36)
• InChIKey: CRTVSCGTXFGCFG-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 50834999) is 3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

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

The canonical SMILES for 3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(C(=O)Nc1cccnc1)C2.

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

The InChIKey is CRTVSCGTXFGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-32-25-13-15-33(27(36)30-21-6-5-14-29-16-21)17-23(25)24(31-32)18-34(22-7-3-2-4-8-22)26(35)19-9-11-20(28)12-10-19/h2-12,14,16H,13,15,17-18H2,1H3,(H,30,36).

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

3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(N-(4-fluorobenzoyl)anilino)methyl]-1-methyl-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 50834999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).