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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Related Compounds

A-674563
CID 11314340
(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505
5-{5-[(2S)-2-amino-3-(3-phenylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731507
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988
5-{5-[(2S)-2-amino-3-(2,4-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731989
5-{5-[(2S)-2-amino-3-(2,4,6-trifluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731990
5-{5-[(2S)-2-amino-3-(2,4,6-trimethylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732278
5-{5-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732279

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).