3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide

C24H21ClFN3O3 — CID 134522136

IUPAC3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCC(CO)(CO)NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H21ClFN3O3/c1-24(13-30,14-31)27-23(32)15-6-11-19-21(12-15)29(17-9-7-16(26)8-10-17)28-22(19)18-4-2-3-5-20(18)25/h2-12,30-31H,13-14H2,1H3,(H,27,32)
InChIKeyXDQCOAIQZQDMOP-UHFFFAOYSA-N
MW453.90 g/mol
LogP3.96
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide

3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522136) has the molecular formula C24H21ClFN3O3 and a molecular weight of 453.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522136
Molecular FormulaC24H21ClFN3O3
Molecular Weight453.90 g/mol
Exact Mass453.13
IUPAC Name3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCC(CO)(CO)NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H21ClFN3O3/c1-24(13-30,14-31)27-23(32)15-6-11-19-21(12-15)29(17-9-7-16(26)8-10-17)28-22(19)18-4-2-3-5-20(18)25/h2-12,30-31H,13-14H2,1H3,(H,27,32)
InChIKeyXDQCOAIQZQDMOP-UHFFFAOYSA-N
XLogP3.96
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)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

Related Compounds

4-[1-[2-Chloro-6-(trifluoromethyl)benzoyl]-6-(2-hydroxyethylcarbamoyl)indazol-3-yl]cyclohex-3-ene-1-carboxylic acid
CID 73293432
5-amino-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299954
US11104690, Example 86
CID 134522043
US11104690, Example 89
CID 134522045
US11104690, Example 107
CID 134522056
US11104690, Example 21
CID 134522059
US11104690, Example 75
CID 134522098
US11104690, Example 47
CID 134522109
US11104690, Example 64
CID 134522116
US11104690, Example 118
CID 134522128
US11104690, Example 52
CID 134522134
US11104690, Example 90
CID 134522150

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522136) is 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide is CC(CO)(CO)NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is XDQCOAIQZQDMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O3/c1-24(13-30,14-31)27-23(32)15-6-11-19-21(12-15)29(17-9-7-16(26)8-10-17)28-22(19)18-4-2-3-5-20(18)25/h2-12,30-31H,13-14H2,1H3,(H,27,32).
What are the key properties of 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 453.90 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).