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

C26H23N5O2 — CID 135355216

IUPAC2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cc1=O
InChIInChI=1S/C26H23N5O2/c1-3-30-10-9-18(11-26(30)33)21-12-25(32)29(2)16-23(21)19-14-28-31(15-19)24-6-4-5-20(17-7-8-17)22(24)13-27/h4-6,9-12,14-17H,3,7-8H2,1-2H3
InChIKeyUKMKWGZCYZJTIS-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.84
Rot. Bonds5

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

2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355216) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355216
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cc1=O
InChIInChI=1S/C26H23N5O2/c1-3-30-10-9-18(11-26(30)33)21-12-25(32)29(2)16-23(21)19-14-28-31(15-19)24-6-4-5-20(17-7-8-17)22(24)13-27/h4-6,9-12,14-17H,3,7-8H2,1-2H3
InChIKeyUKMKWGZCYZJTIS-UHFFFAOYSA-N
XLogP3.84
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355216) is 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is CCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cc1=O.
What is the InChIKey of 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is UKMKWGZCYZJTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-3-30-10-9-18(11-26(30)33)21-12-25(32)29(2)16-23(21)19-14-28-31(15-19)24-6-4-5-20(17-7-8-17)22(24)13-27/h4-6,9-12,14-17H,3,7-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 437.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-[4-(1-ethyl-2-oxo-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).