4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine

C17H18ClN7 — CID 165433622

IUPAC4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2cc(N3CCN(c4ncccc4Cl)CC3)ncn2)n1
InChIInChI=1S/C17H18ClN7/c1-13-4-6-25(22-13)16-11-15(20-12-21-16)23-7-9-24(10-8-23)17-14(18)3-2-5-19-17/h2-6,11-12H,7-10H2,1H3
InChIKeyMSAFYSXSXBIBER-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.35
Rot. Bonds3

About 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine

4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine (PubChem CID 165433622) has the molecular formula C17H18ClN7 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
PubChem CID165433622
Molecular FormulaC17H18ClN7
Molecular Weight355.83 g/mol
Exact Mass355.13
IUPAC Name4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2cc(N3CCN(c4ncccc4Cl)CC3)ncn2)n1
InChIInChI=1S/C17H18ClN7/c1-13-4-6-25(22-13)16-11-15(20-12-21-16)23-7-9-24(10-8-23)17-14(18)3-2-5-19-17/h2-6,11-12H,7-10H2,1H3
InChIKeyMSAFYSXSXBIBER-UHFFFAOYSA-N
XLogP2.35
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine 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

3-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 165434251
4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 166601898
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601695
4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601673
2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine
CID 166601576
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601791
(4-chlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923029
4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920545
4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 166601638
2,2-dimethyl-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70704009
(2-methylphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704010
4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605374

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine (CID 165433622) is 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine is Cc1ccn(-c2cc(N3CCN(c4ncccc4Cl)CC3)ncn2)n1.
What is the InChIKey of 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The InChIKey is MSAFYSXSXBIBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7/c1-13-4-6-25(22-13)16-11-15(20-12-21-16)23-7-9-24(10-8-23)17-14(18)3-2-5-19-17/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine has a molecular weight of 355.83 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 165433622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).