4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide

C22H17ClN4O4 — CID 162646382

IUPAC4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3c(NC(=O)c4cc(Cl)ccc4O)cccc32)cc1
InChIInChI=1S/C22H17ClN4O4/c1-31-15-8-6-14(7-9-15)25-22(30)27-19-4-2-3-18(17(19)12-24-27)26-21(29)16-11-13(23)5-10-20(16)28/h2-12,28H,1H3,(H,25,30)(H,26,29)
InChIKeyVULLILWXRMWOGU-UHFFFAOYSA-N
MW436.86 g/mol
LogP4.74
Rot. Bonds4

About 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide

4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide (PubChem CID 162646382) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide
PubChem CID162646382
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ncc3c(NC(=O)c4cc(Cl)ccc4O)cccc32)cc1
InChIInChI=1S/C22H17ClN4O4/c1-31-15-8-6-14(7-9-15)25-22(30)27-19-4-2-3-18(17(19)12-24-27)26-21(29)16-11-13(23)5-10-20(16)28/h2-12,28H,1H3,(H,25,30)(H,26,29)
InChIKeyVULLILWXRMWOGU-UHFFFAOYSA-N
XLogP4.74
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzoylindazol-5-yl)-5-chloro-2-hydroxybenzamide
CID 162654219
4-[(5-chloro-2-hydroxybenzoyl)amino]-N,N-dimethylindazole-2-carboxamide
CID 162645164
3-[4-[(5-Chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoic acid
CID 162645379
5-chloro-2-hydroxy-N-(1H-indazol-4-yl)benzamide
CID 162651675
Methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-2-yl]propanoate
CID 162652629
5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide
CID 162653217
5-chloro-2-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)indazol-4-yl]benzamide
CID 162655239
5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide
CID 162656144
5-chloro-N-[2-[2-(dimethylamino)-2-oxoethyl]indazol-4-yl]-2-hydroxybenzamide
CID 162657961
Methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate
CID 162659487
5-chloro-2-hydroxy-N-[1-(morpholine-4-carbonyl)indazol-4-yl]benzamide
CID 162659839
5-chloro-N-[1-[4-(dimethylamino)benzoyl]indazol-4-yl]-2-hydroxybenzamide
CID 162662158

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide?
The IUPAC name of 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide (CID 162646382) is 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide.
What is the SMILES notation for 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide?
The canonical SMILES for 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide is COc1ccc(NC(=O)n2ncc3c(NC(=O)c4cc(Cl)ccc4O)cccc32)cc1.
What is the InChIKey of 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide?
The InChIKey is VULLILWXRMWOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c1-31-15-8-6-14(7-9-15)25-22(30)27-19-4-2-3-18(17(19)12-24-27)26-21(29)16-11-13(23)5-10-20(16)28/h2-12,28H,1H3,(H,25,30)(H,26,29).
What are the key properties of 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide?
4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide has a molecular weight of 436.86 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxybenzoyl)amino]-N-(4-methoxyphenyl)indazole-1-carboxamide is sourced from PubChem (CID 162646382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).