N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide

C21H18N4O — CID 127047160

IUPACN-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H18N4O/c26-21(23-13-8-15-4-2-1-3-5-15)17-6-7-19-18(14-17)20(25-24-19)16-9-11-22-12-10-16/h1-7,9-12,14H,8,13H2,(H,23,26)(H,24,25)
InChIKeyNBNHPUXLHVMNEK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.60
Rot. Bonds5

About N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047160) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047160
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H18N4O/c26-21(23-13-8-15-4-2-1-3-5-15)17-6-7-19-18(14-17)20(25-24-19)16-9-11-22-12-10-16/h1-7,9-12,14H,8,13H2,(H,23,26)(H,24,25)
InChIKeyNBNHPUXLHVMNEK-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047160) is N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is NBNHPUXLHVMNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(23-13-8-15-4-2-1-3-5-15)17-6-7-19-18(14-17)20(25-24-19)16-9-11-22-12-10-16/h1-7,9-12,14H,8,13H2,(H,23,26)(H,24,25).
What are the key properties of N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).