(2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide

C19H19N7O3 — CID 59982483

IUPAC(2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
SMILESCC(O)O[C@@H](C)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C19H19N7O3/c1-10(29-11(2)27)19(28)20-14-5-3-4-12(8-14)17-15-9-13(18-23-25-26-24-18)6-7-16(15)21-22-17/h3-11,27H,1-2H3,(H,20,28)(H,21,22)(H,23,24,25,26)/t10-,11?/m0/s1
InChIKeyJKCLELMMHKRMAZ-VUWPPUDQSA-N
MW393.41 g/mol
LogP2.09
Rot. Bonds6

About (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide

(2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide (PubChem CID 59982483) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
PubChem CID59982483
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name(2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
SMILESCC(O)O[C@@H](C)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C19H19N7O3/c1-10(29-11(2)27)19(28)20-14-5-3-4-12(8-14)17-15-9-13(18-23-25-26-24-18)6-7-16(15)21-22-17/h3-11,27H,1-2H3,(H,20,28)(H,21,22)(H,23,24,25,26)/t10-,11?/m0/s1
InChIKeyJKCLELMMHKRMAZ-VUWPPUDQSA-N
XLogP2.09
TPSA141.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 22479879
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide
CID 137088107
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735
butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
CID 5380
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
CID 11176634

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The IUPAC name of (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide (CID 59982483) is (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide is CC(O)O[C@@H](C)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1.
What is the InChIKey of (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The InChIKey is JKCLELMMHKRMAZ-VUWPPUDQSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-10(29-11(2)27)19(28)20-14-5-3-4-12(8-14)17-15-9-13(18-23-25-26-24-18)6-7-16(15)21-22-17/h3-11,27H,1-2H3,(H,20,28)(H,21,22)(H,23,24,25,26)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
(2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide has a molecular weight of 393.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 59982483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).