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

C25H21N5O2 — CID 135355301

IUPAC2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cc1=O
InChIInChI=1S/C25H21N5O2/c1-28-9-8-17(10-24(28)31)20-11-25(32)29(2)15-22(20)18-13-27-30(14-18)23-5-3-4-19(16-6-7-16)21(23)12-26/h3-5,8-11,13-16H,6-7H2,1-2H3
InChIKeyZRGFIIZXQBSLAH-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.35
Rot. Bonds4

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

2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355301) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355301
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cc1=O
InChIInChI=1S/C25H21N5O2/c1-28-9-8-17(10-24(28)31)20-11-25(32)29(2)15-22(20)18-13-27-30(14-18)23-5-3-4-19(16-6-7-16)21(23)12-26/h3-5,8-11,13-16H,6-7H2,1-2H3
InChIKeyZRGFIIZXQBSLAH-UHFFFAOYSA-N
XLogP3.35
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355301) is 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is Cn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3C#N)c2)cc1=O.
What is the InChIKey of 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is ZRGFIIZXQBSLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-28-9-8-17(10-24(28)31)20-11-25(32)29(2)15-22(20)18-13-27-30(14-18)23-5-3-4-19(16-6-7-16)21(23)12-26/h3-5,8-11,13-16H,6-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 423.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).