5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide

C24H20ClN3O6 — CID 162655239

IUPAC5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide
SMILESCOc1cc(C(=O)n2ncc3c(NC(=O)c4cc(Cl)ccc4O)cccc32)cc(OC)c1OC
InChIInChI=1S/C24H20ClN3O6/c1-32-20-9-13(10-21(33-2)22(20)34-3)24(31)28-18-6-4-5-17(16(18)12-26-28)27-23(30)15-11-14(25)7-8-19(15)29/h4-12,29H,1-3H3,(H,27,30)
InChIKeyXCMPXZLOICZNSO-UHFFFAOYSA-N
MW481.89 g/mol
LogP4.36
Rot. Bonds6

About 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide

5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide (PubChem CID 162655239) has the molecular formula C24H20ClN3O6 and a molecular weight of 481.89 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide
PubChem CID162655239
Molecular FormulaC24H20ClN3O6
Molecular Weight481.89 g/mol
Exact Mass481.10
IUPAC Name5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide
SMILESCOc1cc(C(=O)n2ncc3c(NC(=O)c4cc(Cl)ccc4O)cccc32)cc(OC)c1OC
InChIInChI=1S/C24H20ClN3O6/c1-32-20-9-13(10-21(33-2)22(20)34-3)24(31)28-18-6-4-5-17(16(18)12-26-28)27-23(30)15-11-14(25)7-8-19(15)29/h4-12,29H,1-3H3,(H,27,30)
InChIKeyXCMPXZLOICZNSO-UHFFFAOYSA-N
XLogP4.36
TPSA111.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.89
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817766
1-[(3,4,5-trimethoxyphenyl)-carbonyl]-1H-indazole-5-amine
CID 16210774
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817088
4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide
CID 162646382
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3,4-trimethoxybenzamide
CID 25455384
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3,4-trimethoxybenzamide
CID 25455389
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 45215787
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2,3,4-trimethoxybenzamide
CID 60270272
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]-2,4-dihydroxy-N-methylbenzamide
CID 135910301
N-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dihydroxy-N-methyl-5-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 135910444
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-2,3,4-trimethoxybenzamide
CID 19338329

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide (CID 162655239) is 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide is COc1cc(C(=O)n2ncc3c(NC(=O)c4cc(Cl)ccc4O)cccc32)cc(OC)c1OC.
What is the InChIKey of 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide?
The InChIKey is XCMPXZLOICZNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O6/c1-32-20-9-13(10-21(33-2)22(20)34-3)24(31)28-18-6-4-5-17(16(18)12-26-28)27-23(30)15-11-14(25)7-8-19(15)29/h4-12,29H,1-3H3,(H,27,30).
What are the key properties of 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide?
5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide has a molecular weight of 481.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide is sourced from PubChem (CID 162655239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).