N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide

C24H22FN3O2 — CID 137630303

IUPACN-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCC1=CC(=CC=C1)CC2=NNC3=CC(=C(C=C32)C(=O)N(C)CC4=CC=C(C=C4)F)O
InChIInChI=1S/C24H22FN3O2/c1-15-4-3-5-17(10-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-16-6-8-18(25)9-7-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)
InChIKeySCNCSAGXTCHOKM-UHFFFAOYSA-N
MW403.40 g/mol
LogP5.10
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 137630303) has the molecular formula C24H22FN3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
PubChem CID137630303
Molecular FormulaC24H22FN3O2
Molecular Weight403.40 g/mol
Exact Mass403.17
IUPAC NameN-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCC1=CC(=CC=C1)CC2=NNC3=CC(=C(C=C32)C(=O)N(C)CC4=CC=C(C=C4)F)O
InChIInChI=1S/C24H22FN3O2/c1-15-4-3-5-17(10-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-16-6-8-18(25)9-7-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)
InChIKeySCNCSAGXTCHOKM-UHFFFAOYSA-N
XLogP5.10
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity583

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 55.10
H-Bond Donors ≤ 52
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-(3-oxomorpholin-4-yl)phenyl]-1H-indazole-5-carboxamide
CID 137631287
6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
CID 135567214
3-N-butyl-6-hydroxy-3-N,5-N-dimethyl-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide
CID 135567215
3-(3,3-dimethylbutyl)-6-hydroxy-N-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-2H-indazole-5-carboxamide
CID 135567216
6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide
CID 135567253
N-Benzyl-6-Hydroxy-N-Methyl-3-(3-Methylbenzyl)-1h-Indazole-5-Carboxamide
CID 135566719
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
N-[(2-bromophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630305
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
3-benzyl-N-[(2-bromophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630313

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide (CID 137630303) is N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide is CC1=CC(=CC=C1)CC2=NNC3=CC(=C(C=C32)C(=O)N(C)CC4=CC=C(C=C4)F)O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is SCNCSAGXTCHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-15-4-3-5-17(10-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-16-6-8-18(25)9-7-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 137630303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).