5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one

C24H21ClN4O2 — CID 140929080

IUPAC5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one
SMILESCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3Cl)c2)cc1=O
InChIInChI=1S/C24H21ClN4O2/c1-27-9-8-16(10-22(27)30)19-11-23(31)28(2)14-20(19)17-12-26-29(13-17)21-5-3-4-18(24(21)25)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3
InChIKeyORPBRJSONABADL-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.13
Rot. Bonds4

About 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one

5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one (PubChem CID 140929080) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one
PubChem CID140929080
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one
SMILESCn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3Cl)c2)cc1=O
InChIInChI=1S/C24H21ClN4O2/c1-27-9-8-16(10-22(27)30)19-11-23(31)28(2)14-20(19)17-12-26-29(13-17)21-5-3-4-18(24(21)25)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3
InChIKeyORPBRJSONABADL-UHFFFAOYSA-N
XLogP4.13
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10617680, Example 389
CID 135355140
US10617680, Example 19
CID 135355128
US10617680, Example 128
CID 135355172
US10617680, Example 386
CID 135355216
US10617680, Example 380
CID 135355301
US10617680, Example 381
CID 135355340
US10617680, Example 216
CID 135355400
US10617680, Example 385
CID 135355405
US10617680, Example 276
CID 135355430
US10617680, Example 214
CID 135355508
US10617680, Example 314
CID 135355664
US10617680, Example 123
CID 135355170

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one?
The IUPAC name of 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one (CID 140929080) is 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one.
What is the SMILES notation for 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one?
The canonical SMILES for 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one is Cn1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(C4CC4)c3Cl)c2)cc1=O.
What is the InChIKey of 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one?
The InChIKey is ORPBRJSONABADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-27-9-8-16(10-22(27)30)19-11-23(31)28(2)14-20(19)17-12-26-29(13-17)21-5-3-4-18(24(21)25)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3.
What are the key properties of 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one?
5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one has a molecular weight of 432.91 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-3-cyclopropylphenyl)pyrazol-4-yl]-1-methyl-4-(1-methyl-2-oxo-4-pyridinyl)pyridin-2-one is sourced from PubChem (CID 140929080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).