3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide

C29H23ClFN3O2 — CID 134522056

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1)[C@H](O)c1ccccc1
InChIInChI=1S/C29H23ClFN3O2/c1-18(28(35)19-7-3-2-4-8-19)32-29(36)20-11-16-24-26(17-20)34(22-14-12-21(31)13-15-22)33-27(24)23-9-5-6-10-25(23)30/h2-18,28,35H,1H3,(H,32,36)/t18-,28+/m1/s1
InChIKeyYWQMVOJRMLTSCY-WRHNGFHOSA-N
MW499.97 g/mol
LogP6.34
Rot. Bonds6

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide (PubChem CID 134522056) has the molecular formula C29H23ClFN3O2 and a molecular weight of 499.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide
PubChem CID134522056
Molecular FormulaC29H23ClFN3O2
Molecular Weight499.97 g/mol
Exact Mass499.15
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1)[C@H](O)c1ccccc1
InChIInChI=1S/C29H23ClFN3O2/c1-18(28(35)19-7-3-2-4-8-19)32-29(36)20-11-16-24-26(17-20)34(22-14-12-21(31)13-15-22)33-27(24)23-9-5-6-10-25(23)30/h2-18,28,35H,1H3,(H,32,36)/t18-,28+/m1/s1
InChIKeyYWQMVOJRMLTSCY-WRHNGFHOSA-N
XLogP6.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.97
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide with MolForge

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Related Compounds

Sodium;4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(2-hydroxyethylcarbamoyl)indazol-3-yl]benzoate
CID 68279056
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(hydroxymethyl)indazole-3-carboxamide
CID 130299610
4-[1-[2-Chloro-6-(trifluoromethyl)benzoyl]-6-(2-hydroxyethylcarbamoyl)indazol-3-yl]cyclohex-3-ene-1-carboxylic acid
CID 73293432
US10196354, Example 2B
CID 73294750
US11104690, Example 86
CID 134522043
US11104690, Example 111
CID 134522054
US11104690, Example 21
CID 134522059
US11104690, Example 75
CID 134522098
US11104690, Example 47
CID 134522109
US11104690, Example 5
CID 134522110
US11104690, Example 64
CID 134522116
US11104690, Example 46
CID 134522136

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide (CID 134522056) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide is C[C@@H](NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1)[C@H](O)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide?
The InChIKey is YWQMVOJRMLTSCY-WRHNGFHOSA-N. The full InChI is InChI=1S/C29H23ClFN3O2/c1-18(28(35)19-7-3-2-4-8-19)32-29(36)20-11-16-24-26(17-20)34(22-14-12-21(31)13-15-22)33-27(24)23-9-5-6-10-25(23)30/h2-18,28,35H,1H3,(H,32,36)/t18-,28+/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide has a molecular weight of 499.97 g/mol, XLogP of 6.34, 6 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-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]indazole-6-carboxamide is sourced from PubChem (CID 134522056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).