6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

C23H18ClN7O — CID 175427756

IUPAC6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2cnn(C)c2)n1)c1ccnc(C#N)c1
InChIInChI=1S/C23H18ClN7O/c1-14(16-7-8-26-19(9-16)11-25)28-23(32)21-10-20(15-3-5-18(24)6-4-15)29-22(30-21)17-12-27-31(2)13-17/h3-10,12-14H,1-2H3,(H,28,32)
InChIKeyAQESKYZUVYOMST-UHFFFAOYSA-N
MW443.90 g/mol
LogP3.96
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 175427756) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
PubChem CID175427756
Molecular FormulaC23H18ClN7O
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Name6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2cnn(C)c2)n1)c1ccnc(C#N)c1
InChIInChI=1S/C23H18ClN7O/c1-14(16-7-8-26-19(9-16)11-25)28-23(32)21-10-20(15-3-5-18(24)6-4-15)29-22(30-21)17-12-27-31(2)13-17/h3-10,12-14H,1-2H3,(H,28,32)
InChIKeyAQESKYZUVYOMST-UHFFFAOYSA-N
XLogP3.96
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide 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 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (CID 175427756) is 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is CC(NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2cnn(C)c2)n1)c1ccnc(C#N)c1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is AQESKYZUVYOMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c1-14(16-7-8-26-19(9-16)11-25)28-23(32)21-10-20(15-3-5-18(24)6-4-15)29-22(30-21)17-12-27-31(2)13-17/h3-10,12-14H,1-2H3,(H,28,32).
What are the key properties of 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 443.90 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 175427756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).