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

C24H21ClFN3O4 — CID 134522586

IUPAC3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H21ClFN3O4/c25-20-4-2-1-3-18(20)22-19-10-5-15(23(33)27-24(12-30,13-31)14-32)11-21(19)29(28-22)17-8-6-16(26)7-9-17/h1-11,30-32H,12-14H2,(H,27,33)
InChIKeyHGFZAVZHQAIJQK-UHFFFAOYSA-N
MW469.90 g/mol
LogP2.93
Rot. Bonds7

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

3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522586) has the molecular formula C24H21ClFN3O4 and a molecular weight of 469.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522586
Molecular FormulaC24H21ClFN3O4
Molecular Weight469.90 g/mol
Exact Mass469.12
IUPAC Name3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H21ClFN3O4/c25-20-4-2-1-3-18(20)22-19-10-5-15(23(33)27-24(12-30,13-31)14-32)11-21(19)29(28-22)17-8-6-16(26)7-9-17/h1-11,30-32H,12-14H2,(H,27,33)
InChIKeyHGFZAVZHQAIJQK-UHFFFAOYSA-N
XLogP2.93
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide with MolForge

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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 46
CID 134522136

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522586) is 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is O=C(NC(CO)(CO)CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is HGFZAVZHQAIJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O4/c25-20-4-2-1-3-18(20)22-19-10-5-15(23(33)27-24(12-30,13-31)14-32)11-21(19)29(28-22)17-8-6-16(26)7-9-17/h1-11,30-32H,12-14H2,(H,27,33).
What are the key properties of 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 469.90 g/mol, XLogP of 2.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).