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

C26H18ClFN4O — CID 134522066

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C26H18ClFN4O/c27-23-7-2-1-6-21(23)25-22-13-8-17(26(33)30-16-19-5-3-4-14-29-19)15-24(22)32(31-25)20-11-9-18(28)10-12-20/h1-15H,16H2,(H,30,33)
InChIKeyMHWAPMGKMFYZIG-UHFFFAOYSA-N
MW456.91 g/mol
LogP5.81
Rot. Bonds5

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

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide (PubChem CID 134522066) has the molecular formula C26H18ClFN4O and a molecular weight of 456.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide
PubChem CID134522066
Molecular FormulaC26H18ClFN4O
Molecular Weight456.91 g/mol
Exact Mass456.12
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C26H18ClFN4O/c27-23-7-2-1-6-21(23)25-22-13-8-17(26(33)30-16-19-5-3-4-14-29-19)15-24(22)32(31-25)20-11-9-18(28)10-12-20/h1-15H,16H2,(H,30,33)
InChIKeyMHWAPMGKMFYZIG-UHFFFAOYSA-N
XLogP5.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.91
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide (CID 134522066) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide is O=C(NCc1ccccn1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide?
The InChIKey is MHWAPMGKMFYZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O/c27-23-7-2-1-6-21(23)25-22-13-8-17(26(33)30-16-19-5-3-4-14-29-19)15-24(22)32(31-25)20-11-9-18(28)10-12-20/h1-15H,16H2,(H,30,33).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide has a molecular weight of 456.91 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)indazole-6-carboxamide is sourced from PubChem (CID 134522066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).