3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide

C30H23ClFN3O2 — CID 134522098

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide
SMILESO=C(NC1(CO)CCc2ccccc21)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C30H23ClFN3O2/c31-26-8-4-2-6-23(26)28-24-14-9-20(17-27(24)35(34-28)22-12-10-21(32)11-13-22)29(37)33-30(18-36)16-15-19-5-1-3-7-25(19)30/h1-14,17,36H,15-16,18H2,(H,33,37)
InChIKeyDHBBMSXBHLZAEY-UHFFFAOYSA-N
MW511.98 g/mol
LogP6.05
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide (PubChem CID 134522098) has the molecular formula C30H23ClFN3O2 and a molecular weight of 511.98 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide
PubChem CID134522098
Molecular FormulaC30H23ClFN3O2
Molecular Weight511.98 g/mol
Exact Mass511.15
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide
SMILESO=C(NC1(CO)CCc2ccccc21)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C30H23ClFN3O2/c31-26-8-4-2-6-23(26)28-24-14-9-20(17-27(24)35(34-28)22-12-10-21(32)11-13-22)29(37)33-30(18-36)16-15-19-5-1-3-7-25(19)30/h1-14,17,36H,15-16,18H2,(H,33,37)
InChIKeyDHBBMSXBHLZAEY-UHFFFAOYSA-N
XLogP6.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.98
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]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-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide (CID 134522098) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide is O=C(NC1(CO)CCc2ccccc21)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide?
The InChIKey is DHBBMSXBHLZAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClFN3O2/c31-26-8-4-2-6-23(26)28-24-14-9-20(17-27(24)35(34-28)22-12-10-21(32)11-13-22)29(37)33-30(18-36)16-15-19-5-1-3-7-25(19)30/h1-14,17,36H,15-16,18H2,(H,33,37).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide has a molecular weight of 511.98 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]indazole-6-carboxamide is sourced from PubChem (CID 134522098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).