(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C25H32N6O — CID 24791154

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC(N4CCN(c5ccccc5C)CC4)C3)cc2n1
InChIInChI=1S/C25H32N6O/c1-18-7-4-5-9-23(18)29-13-11-28(12-14-29)21-8-6-10-30(17-21)25(32)22-16-24-26-19(2)15-20(3)31(24)27-22/h4-5,7,9,15-16,21H,6,8,10-14,17H2,1-3H3
InChIKeyUVFOFVOMZGDMQT-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.08
Rot. Bonds3

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24791154) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24791154
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC(N4CCN(c5ccccc5C)CC4)C3)cc2n1
InChIInChI=1S/C25H32N6O/c1-18-7-4-5-9-23(18)29-13-11-28(12-14-29)21-8-6-10-30(17-21)25(32)22-16-24-26-19(2)15-20(3)31(24)27-22/h4-5,7,9,15-16,21H,6,8,10-14,17H2,1-3H3
InChIKeyUVFOFVOMZGDMQT-UHFFFAOYSA-N
XLogP3.08
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone 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 (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24791154) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCCC(N4CCN(c5ccccc5C)CC4)C3)cc2n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is UVFOFVOMZGDMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-18-7-4-5-9-23(18)29-13-11-28(12-14-29)21-8-6-10-30(17-21)25(32)22-16-24-26-19(2)15-20(3)31(24)27-22/h4-5,7,9,15-16,21H,6,8,10-14,17H2,1-3H3.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 432.57 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24791154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).