N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide

C25H20FN5O2 — CID 66853595

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 66853595) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 66853595
• Molecular Formula: C25H20FN5O2
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.16
• IUPAC Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1[nH]c(=O)c(-c2cc3ccccc3[nH]2)cc1C(=O)Nc1cnn(Cc2cccc(F)c2)c1
• InChI: InChI=1S/C25H20FN5O2/c1-15-20(11-21(25(33)28-15)23-10-17-6-2-3-8-22(17)30-23)24(32)29-19-12-27-31(14-19)13-16-5-4-7-18(26)9-16/h2-12,14,30H,13H2,1H3,(H,28,33)(H,29,32)
• InChIKey: ISIKLJHINMGSFN-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 95.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 66853595) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(-c2cc3ccccc3[nH]2)cc1C(=O)Nc1cnn(Cc2cccc(F)c2)c1.

What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is ISIKLJHINMGSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-15-20(11-21(25(33)28-15)23-10-17-6-2-3-8-22(17)30-23)24(32)29-19-12-27-31(14-19)13-16-5-4-7-18(26)9-16/h2-12,14,30H,13H2,1H3,(H,28,33)(H,29,32).

What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide?

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-indol-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66853595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).