(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide

C19H18N6O2 — CID 124938174

IUPAC(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc2cn[nH]c12)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C19H18N6O2/c1-13(19(26)21-17-9-5-6-14-10-20-23-18(14)17)25-11-15(22-24-25)12-27-16-7-3-2-4-8-16/h2-11,13H,12H2,1H3,(H,20,23)(H,21,26)/t13-/m0/s1
InChIKeyDLHIVYHZCLQMCD-ZDUSSCGKSA-N
MW362.39 g/mol
LogP2.93
Rot. Bonds6

About (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide

(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide (PubChem CID 124938174) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
PubChem CID124938174
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc2cn[nH]c12)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C19H18N6O2/c1-13(19(26)21-17-9-5-6-14-10-20-23-18(14)17)25-11-15(22-24-25)12-27-16-7-3-2-4-8-16/h2-11,13H,12H2,1H3,(H,20,23)(H,21,26)/t13-/m0/s1
InChIKeyDLHIVYHZCLQMCD-ZDUSSCGKSA-N
XLogP2.93
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938362
(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938361
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
CID 124938277
(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 124938453
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938273
N-(1H-indazol-7-yl)-3-phenylmethoxybenzamide
CID 34150556
(2S)-2-bromo-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 93266562
(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 79012424
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
CID 82202035
N-(1H-indazol-7-yl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24669367

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The IUPAC name of (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide (CID 124938174) is (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The canonical SMILES for (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide is C[C@@H](C(=O)Nc1cccc2cn[nH]c12)n1cc(COc2ccccc2)nn1.
What is the InChIKey of (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The InChIKey is DLHIVYHZCLQMCD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13(19(26)21-17-9-5-6-14-10-20-23-18(14)17)25-11-15(22-24-25)12-27-16-7-3-2-4-8-16/h2-11,13H,12H2,1H3,(H,20,23)(H,21,26)/t13-/m0/s1.
What are the key properties of (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide has a molecular weight of 362.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 124938174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).