3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide

C25H17ClFN5O — CID 134522833

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide
SMILESO=C(NCc1cncnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H17ClFN5O/c26-22-4-2-1-3-20(22)24-21-10-5-17(25(33)30-14-16-12-28-15-29-13-16)11-23(21)32(31-24)19-8-6-18(27)7-9-19/h1-13,15H,14H2,(H,30,33)
InChIKeyOLWRXIQBQMXVST-UHFFFAOYSA-N
MW457.90 g/mol
LogP5.20
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide (PubChem CID 134522833) has the molecular formula C25H17ClFN5O and a molecular weight of 457.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide
PubChem CID134522833
Molecular FormulaC25H17ClFN5O
Molecular Weight457.90 g/mol
Exact Mass457.11
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide
SMILESO=C(NCc1cncnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H17ClFN5O/c26-22-4-2-1-3-20(22)24-21-10-5-17(25(33)30-14-16-12-28-15-29-13-16)11-23(21)32(31-24)19-8-6-18(27)7-9-19/h1-13,15H,14H2,(H,30,33)
InChIKeyOLWRXIQBQMXVST-UHFFFAOYSA-N
XLogP5.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.90
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide 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 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide (CID 134522833) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide is O=C(NCc1cncnc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide?
The InChIKey is OLWRXIQBQMXVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN5O/c26-22-4-2-1-3-20(22)24-21-10-5-17(25(33)30-14-16-12-28-15-29-13-16)11-23(21)32(31-24)19-8-6-18(27)7-9-19/h1-13,15H,14H2,(H,30,33).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide has a molecular weight of 457.90 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)indazole-6-carboxamide is sourced from PubChem (CID 134522833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).