2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol

C24H28N6O — CID 142464151

IUPAC2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol
SMILESCc1cc(-c2cnn3cc(N4CCN(CC(C)(C)O)CC4)cnc23)c2ccccc2n1
InChIInChI=1S/C24H28N6O/c1-17-12-20(19-6-4-5-7-22(19)27-17)21-14-26-30-15-18(13-25-23(21)30)29-10-8-28(9-11-29)16-24(2,3)31/h4-7,12-15,31H,8-11,16H2,1-3H3
InChIKeyZOVKFCITERBACK-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.15
Rot. Bonds4

About 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol

2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol (PubChem CID 142464151) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol
PubChem CID142464151
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol
SMILESCc1cc(-c2cnn3cc(N4CCN(CC(C)(C)O)CC4)cnc23)c2ccccc2n1
InChIInChI=1S/C24H28N6O/c1-17-12-20(19-6-4-5-7-22(19)27-17)21-14-26-30-15-18(13-25-23(21)30)29-10-8-28(9-11-29)16-24(2,3)31/h4-7,12-15,31H,8-11,16H2,1-3H3
InChIKeyZOVKFCITERBACK-UHFFFAOYSA-N
XLogP3.15
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol 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 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol (CID 142464151) is 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol is Cc1cc(-c2cnn3cc(N4CCN(CC(C)(C)O)CC4)cnc23)c2ccccc2n1.
What is the InChIKey of 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is ZOVKFCITERBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-17-12-20(19-6-4-5-7-22(19)27-17)21-14-26-30-15-18(13-25-23(21)30)29-10-8-28(9-11-29)16-24(2,3)31/h4-7,12-15,31H,8-11,16H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 416.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 142464151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).