1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol

C29H24Cl2FN5O — CID 10460167

IUPAC1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCc1nc(N2CCC(O)(c3ccc(F)cc3)CC2)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
InChIInChI=1S/C29H24Cl2FN5O/c1-18-33-28(36-16-14-29(38,15-17-36)20-8-12-22(32)13-9-20)34-27-25(19-6-10-21(30)11-7-19)26(35-37(18)27)23-4-2-3-5-24(23)31/h2-13,38H,14-17H2,1H3
InChIKeyZPLUTUQXQIWIOZ-UHFFFAOYSA-N
MW548.45 g/mol
LogP6.70
Rot. Bonds4

About 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol

1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol (PubChem CID 10460167) has the molecular formula C29H24Cl2FN5O and a molecular weight of 548.45 g/mol. Its IUPAC name is 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
PubChem CID10460167
Molecular FormulaC29H24Cl2FN5O
Molecular Weight548.45 g/mol
Exact Mass547.13
IUPAC Name1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
SMILESCc1nc(N2CCC(O)(c3ccc(F)cc3)CC2)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
InChIInChI=1S/C29H24Cl2FN5O/c1-18-33-28(36-16-14-29(38,15-17-36)20-8-12-22(32)13-9-20)34-27-25(19-6-10-21(30)11-7-19)26(35-37(18)27)23-4-2-3-5-24(23)31/h2-13,38H,14-17H2,1H3
InChIKeyZPLUTUQXQIWIOZ-UHFFFAOYSA-N
XLogP6.70
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.45
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-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-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol (CID 10460167) is 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol is Cc1nc(N2CCC(O)(c3ccc(F)cc3)CC2)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12.
What is the InChIKey of 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
The InChIKey is ZPLUTUQXQIWIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2FN5O/c1-18-33-28(36-16-14-29(38,15-17-36)20-8-12-22(32)13-9-20)34-27-25(19-6-10-21(30)11-7-19)26(35-37(18)27)23-4-2-3-5-24(23)31/h2-13,38H,14-17H2,1H3.
What are the key properties of 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol?
1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol has a molecular weight of 548.45 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 10460167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).