1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol

C23H25FN6O — CID 110244829

IUPAC1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESCc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)(c3ccccc3F)CC2)c1C
InChIInChI=1S/C23H25FN6O/c1-15-16(2)26-20-14-19(21-25-10-13-28(21)3)27-30(20)22(15)29-11-8-23(31,9-12-29)17-6-4-5-7-18(17)24/h4-7,10,13-14,31H,8-9,11-12H2,1-3H3
InChIKeyVHCJSIMQRZPCRS-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.37
Rot. Bonds3

About 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol

1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 110244829) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID110244829
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESCc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)(c3ccccc3F)CC2)c1C
InChIInChI=1S/C23H25FN6O/c1-15-16(2)26-20-14-19(21-25-10-13-28(21)3)27-30(20)22(15)29-11-8-23(31,9-12-29)17-6-4-5-7-18(17)24/h4-7,10,13-14,31H,8-9,11-12H2,1-3H3
InChIKeyVHCJSIMQRZPCRS-UHFFFAOYSA-N
XLogP3.37
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-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 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol (CID 110244829) is 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol is Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)(c3ccccc3F)CC2)c1C.
What is the InChIKey of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is VHCJSIMQRZPCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-15-16(2)26-20-14-19(21-25-10-13-28(21)3)27-30(20)22(15)29-11-8-23(31,9-12-29)17-6-4-5-7-18(17)24/h4-7,10,13-14,31H,8-9,11-12H2,1-3H3.
What are the key properties of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol?
1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 420.49 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 110244829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).