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

C22H20N4O — CID 127047158

IUPACN-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C22H20N4O/c27-22(24-12-4-7-16-5-2-1-3-6-16)18-8-9-20-19(15-18)21(26-25-20)17-10-13-23-14-11-17/h1-3,5-6,8-11,13-15H,4,7,12H2,(H,24,27)(H,25,26)
InChIKeySBBYUKLIZAGFLI-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.99
Rot. Bonds6

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

N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047158) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047158
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C22H20N4O/c27-22(24-12-4-7-16-5-2-1-3-6-16)18-8-9-20-19(15-18)21(26-25-20)17-10-13-23-14-11-17/h1-3,5-6,8-11,13-15H,4,7,12H2,(H,24,27)(H,25,26)
InChIKeySBBYUKLIZAGFLI-UHFFFAOYSA-N
XLogP3.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047158) is N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCCCc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is SBBYUKLIZAGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(24-12-4-7-16-5-2-1-3-6-16)18-8-9-20-19(15-18)21(26-25-20)17-10-13-23-14-11-17/h1-3,5-6,8-11,13-15H,4,7,12H2,(H,24,27)(H,25,26).
What are the key properties of N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).