2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

C24H19N5O2 — CID 135355198

About 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355198) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
• PubChem CID: 135355198
• Molecular Formula: C24H19N5O2
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.15
• IUPAC Name: 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
• SMILES: Cn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccn(C3CC3)c(=O)c2)cc1=O
• InChI: InChI=1S/C24H19N5O2/c1-27-15-21(18-13-26-29(14-18)22-5-3-2-4-17(22)12-25)20(11-23(27)30)16-8-9-28(19-6-7-19)24(31)10-16/h2-5,8-11,13-15,19H,6-7H2,1H3
• InChIKey: AQGFBEKKZYZNNW-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 85.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?

The IUPAC name of 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355198) is 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

What is the SMILES notation for 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?

The canonical SMILES for 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is Cn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccn(C3CC3)c(=O)c2)cc1=O.

What is the InChIKey of 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?

The InChIKey is AQGFBEKKZYZNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-27-15-21(18-13-26-29(14-18)22-5-3-2-4-17(22)12-25)20(11-23(27)30)16-8-9-28(19-6-7-19)24(31)10-16/h2-5,8-11,13-15,19H,6-7H2,1H3.

What are the key properties of 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?

2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 409.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).