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

C21H18N4O2 — CID 127047563

IUPACN-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H18N4O2/c26-21(23-12-13-27-17-4-2-1-3-5-17)16-6-7-19-18(14-16)20(25-24-19)15-8-10-22-11-9-15/h1-11,14H,12-13H2,(H,23,26)(H,24,25)
InChIKeyUAWSGOCKFYPOEX-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.43
Rot. Bonds6

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

N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047563) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047563
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H18N4O2/c26-21(23-12-13-27-17-4-2-1-3-5-17)16-6-7-19-18(14-16)20(25-24-19)15-8-10-22-11-9-15/h1-11,14H,12-13H2,(H,23,26)(H,24,25)
InChIKeyUAWSGOCKFYPOEX-UHFFFAOYSA-N
XLogP3.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047563) is N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCCOc1ccccc1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is UAWSGOCKFYPOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-21(23-12-13-27-17-4-2-1-3-5-17)16-6-7-19-18(14-16)20(25-24-19)15-8-10-22-11-9-15/h1-11,14H,12-13H2,(H,23,26)(H,24,25).
What are the key properties of N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).