N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide

C22H17ClFN3O3 — CID 137210065

IUPACN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide
SMILESO=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccc(O)c(F)c3)c2c1
InChIInChI=1S/C22H17ClFN3O3/c23-15-3-1-2-12(8-15)19(11-28)25-22(30)14-4-6-18-16(9-14)21(27-26-18)13-5-7-20(29)17(24)10-13/h1-10,19,28-29H,11H2,(H,25,30)(H,26,27)
InChIKeyHJWORTJKQYPPQB-UHFFFAOYSA-N
MW425.85 g/mol
LogP4.19
Rot. Bonds5

About N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide (PubChem CID 137210065) has the molecular formula C22H17ClFN3O3 and a molecular weight of 425.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide
PubChem CID137210065
Molecular FormulaC22H17ClFN3O3
Molecular Weight425.85 g/mol
Exact Mass425.09
IUPAC NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide
SMILESO=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccc(O)c(F)c3)c2c1
InChIInChI=1S/C22H17ClFN3O3/c23-15-3-1-2-12(8-15)19(11-28)25-22(30)14-4-6-18-16(9-14)21(27-26-18)13-5-7-20(29)17(24)10-13/h1-10,19,28-29H,11H2,(H,25,30)(H,26,27)
InChIKeyHJWORTJKQYPPQB-UHFFFAOYSA-N
XLogP4.19
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1r)-1-(2-Chlorophenyl)propyl]-3-{4-[(1-Methylpiperidin-4-Yl)oxy]phenyl}-1h-Indazole-5-Carboxamide
CID 86711023
3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630322
N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630303
N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630306
N-[(4-chloro-3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630307
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630318
N-[(2-bromophenyl)methyl]-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630327
3-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630328
3-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630329
3-[(3-chlorophenyl)methyl]-6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630331
3-benzyl-N-[(4-chloro-3-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630334
N-benzyl-3-[(3-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630339

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide (CID 137210065) is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide is O=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccc(O)c(F)c3)c2c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide?
The InChIKey is HJWORTJKQYPPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O3/c23-15-3-1-2-12(8-15)19(11-28)25-22(30)14-4-6-18-16(9-14)21(27-26-18)13-5-7-20(29)17(24)10-13/h1-10,19,28-29H,11H2,(H,25,30)(H,26,27).
What are the key properties of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide?
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide has a molecular weight of 425.85 g/mol, XLogP of 4.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 137210065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).