(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'}

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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).