N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C21H17ClN4O — CID 127047015

IUPACN-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccccc1Cl
InChIInChI=1S/C21H17ClN4O/c1-13(16-4-2-3-5-18(16)22)24-21(27)15-6-7-19-17(12-15)20(26-25-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeyWYMDRUQTDACYEF-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.77
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047015) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047015
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccccc1Cl
InChIInChI=1S/C21H17ClN4O/c1-13(16-4-2-3-5-18(16)22)24-21(27)15-6-7-19-17(12-15)20(26-25-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeyWYMDRUQTDACYEF-UHFFFAOYSA-N
XLogP4.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127045929
N-[1-(2-chlorophenyl)-2-methylpropyl]-3-[4-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 134562113
N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 127047178
N-[cyclopropyl-(2-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
CID 134567147
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999236
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
CID 134567374
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-(1'-methyl-4-oxospiro[3H-chromene-2,3'-azetidine]-6-yl)-1H-indazole-5-carboxamide
CID 71550156
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 112759028

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047015) is N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is WYMDRUQTDACYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13(16-4-2-3-5-18(16)22)24-21(27)15-6-7-19-17(12-15)20(26-25-19)14-8-10-23-11-9-14/h2-13H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).