N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

C21H24ClN7O3 — CID 56920390

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1Cl
InChIInChI=1S/C21H24ClN7O3/c1-14-4-5-29(26-14)20-12-19(23-13-24-20)27-6-8-28(9-7-27)21(30)25-16-10-15(22)17(31-2)11-18(16)32-3/h4-5,10-13H,6-9H2,1-3H3,(H,25,30)
InChIKeyJTPRDOARHQDTGS-UHFFFAOYSA-N
MW457.92 g/mol
LogP3.00
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 56920390) has the molecular formula C21H24ClN7O3 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID56920390
Molecular FormulaC21H24ClN7O3
Molecular Weight457.92 g/mol
Exact Mass457.16
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1Cl
InChIInChI=1S/C21H24ClN7O3/c1-14-4-5-29(26-14)20-12-19(23-13-24-20)27-6-8-28(9-7-27)21(30)25-16-10-15(22)17(31-2)11-18(16)32-3/h4-5,10-13H,6-9H2,1-3H3,(H,25,30)
InChIKeyJTPRDOARHQDTGS-UHFFFAOYSA-N
XLogP3.00
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56699057
N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50948012
N-(2,6-difluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122344725
N-(5-chloro-2-methoxyphenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341864
(4-chlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923029
N-(3-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56921079
N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50753181
2,2-dimethyl-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70704009
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420
(3-methoxy-1-methylpyrazol-4-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344784
N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375484

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 56920390) is N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide is COc1cc(OC)c(NC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is JTPRDOARHQDTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O3/c1-14-4-5-29(26-14)20-12-19(23-13-24-20)27-6-8-28(9-7-27)21(30)25-16-10-15(22)17(31-2)11-18(16)32-3/h4-5,10-13H,6-9H2,1-3H3,(H,25,30).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 56920390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).