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

C22H17N5O2 — CID 135355451

IUPAC2-[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(-c3ccccc3C#N)c2)cc1=O
InChIInChI=1S/C22H17N5O2/c1-25-8-7-15(9-21(25)28)18-10-22(29)26(2)14-19(18)17-12-24-27(13-17)20-6-4-3-5-16(20)11-23/h3-10,12-14H,1-2H3
InChIKeyKHGYGJBOJMHAOM-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.48
Rot. Bonds3

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

2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355451) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355451
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name2-[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(-c3ccccc3C#N)c2)cc1=O
InChIInChI=1S/C22H17N5O2/c1-25-8-7-15(9-21(25)28)18-10-22(29)26(2)14-19(18)17-12-24-27(13-17)20-6-4-3-5-16(20)11-23/h3-10,12-14H,1-2H3
InChIKeyKHGYGJBOJMHAOM-UHFFFAOYSA-N
XLogP2.48
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355451) is 2-[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-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[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(-c3ccccc3C#N)c2)cc1=O.
What is the InChIKey of 2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is KHGYGJBOJMHAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-25-8-7-15(9-21(25)28)18-10-22(29)26(2)14-19(18)17-12-24-27(13-17)20-6-4-3-5-16(20)11-23/h3-10,12-14H,1-2H3.
What are the key properties of 2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 383.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).