5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide

C19H17F2N3O2 — CID 118381555

IUPAC5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C19H17F2N3O2/c20-15-3-1-2-13(17(15)21)11-4-5-16-14(10-11)18(24-23-16)19(25)22-12-6-8-26-9-7-12/h1-5,10,12H,6-9H2,(H,22,25)(H,23,24)
InChIKeyUZGGCPPNHPWZKF-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.42
Rot. Bonds3

About 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide

5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381555) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide
PubChem CID118381555
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C19H17F2N3O2/c20-15-3-1-2-13(17(15)21)11-4-5-16-14(10-11)18(24-23-16)19(25)22-12-6-8-26-9-7-12/h1-5,10,12H,6-9H2,(H,22,25)(H,23,24)
InChIKeyUZGGCPPNHPWZKF-UHFFFAOYSA-N
XLogP3.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-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 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide (CID 118381555) is 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide is O=C(NC1CCOCC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is UZGGCPPNHPWZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-15-3-1-2-13(17(15)21)11-4-5-16-14(10-11)18(24-23-16)19(25)22-12-6-8-26-9-7-12/h1-5,10,12H,6-9H2,(H,22,25)(H,23,24).
What are the key properties of 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).