N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide

C24H25N3O3 — CID 23589869

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C24H25N3O3/c1-14(2)21(13-28)25-24(29)19-11-18-20(12-22(19)30-3)26-27-23(18)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,14,21,28H,13H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyVJQSABOOMMFDJF-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.14
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide (PubChem CID 23589869) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide
PubChem CID23589869
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C24H25N3O3/c1-14(2)21(13-28)25-24(29)19-11-18-20(12-22(19)30-3)26-27-23(18)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,14,21,28H,13H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyVJQSABOOMMFDJF-UHFFFAOYSA-N
XLogP4.14
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137349251
6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-N-(4-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 137631316
N-Benzyl-6-Hydroxy-N-Methyl-3-(3-Methylbenzyl)-1h-Indazole-5-Carboxamide
CID 135566719
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711021
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89509708
N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630303
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630306
N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630316
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630318
6-hydroxy-N-[[4-(methanesulfonamidomethyl)phenyl]methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630321
3-benzyl-6-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630323

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide (CID 23589869) is N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The InChIKey is VJQSABOOMMFDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-14(2)21(13-28)25-24(29)19-11-18-20(12-22(19)30-3)26-27-23(18)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,14,21,28H,13H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).