1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol

C29H23Cl2FN4O — CID 57428594

IUPAC1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2ccnc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)CC1
InChIInChI=1S/C29H23Cl2FN4O/c30-21-9-5-19(6-10-21)26-27(23-3-1-2-4-24(23)31)34-36-25(13-16-33-28(26)36)35-17-14-29(37,15-18-35)20-7-11-22(32)12-8-20/h1-13,16,37H,14-15,17-18H2
InChIKeyLRZAPFUQVRSILO-UHFFFAOYSA-N
MW533.43 g/mol
LogP7.00
Rot. Bonds4

About 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol

1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 57428594) has the molecular formula C29H23Cl2FN4O and a molecular weight of 533.43 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID57428594
Molecular FormulaC29H23Cl2FN4O
Molecular Weight533.43 g/mol
Exact Mass532.12
IUPAC Name1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2ccnc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)CC1
InChIInChI=1S/C29H23Cl2FN4O/c30-21-9-5-19(6-10-21)26-27(23-3-1-2-4-24(23)31)34-36-25(13-16-33-28(26)36)35-17-14-29(37,15-18-35)20-7-11-22(32)12-8-20/h1-13,16,37H,14-15,17-18H2
InChIKeyLRZAPFUQVRSILO-UHFFFAOYSA-N
XLogP7.00
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.43
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-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-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol (CID 57428594) is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(c2ccnc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)CC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is LRZAPFUQVRSILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2FN4O/c30-21-9-5-19(6-10-21)26-27(23-3-1-2-4-24(23)31)34-36-25(13-16-33-28(26)36)35-17-14-29(37,15-18-35)20-7-11-22(32)12-8-20/h1-13,16,37H,14-15,17-18H2.
What are the key properties of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol?
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 533.43 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 57428594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).