(2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide

C20H28N4O2 — CID 96537661

IUPAC(2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C20H28N4O2/c1-5-18-22-19-17(10-7-11-24(19)23-18)21-20(25)14(4)26-16-9-6-8-15(12-16)13(2)3/h6,8-9,12-14,17H,5,7,10-11H2,1-4H3,(H,21,25)/t14-,17-/m0/s1
InChIKeyAERIAOVIQZQVNF-YOEHRIQHSA-N
MW356.47 g/mol
LogP3.38
Rot. Bonds6

About (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide

(2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 96537661) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID96537661
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C20H28N4O2/c1-5-18-22-19-17(10-7-11-24(19)23-18)21-20(25)14(4)26-16-9-6-8-15(12-16)13(2)3/h6,8-9,12-14,17H,5,7,10-11H2,1-4H3,(H,21,25)/t14-,17-/m0/s1
InChIKeyAERIAOVIQZQVNF-YOEHRIQHSA-N
XLogP3.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide (CID 96537661) is (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide is CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)Oc1cccc(C(C)C)c1.
What is the InChIKey of (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is AERIAOVIQZQVNF-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-18-22-19-17(10-7-11-24(19)23-18)21-20(25)14(4)26-16-9-6-8-15(12-16)13(2)3/h6,8-9,12-14,17H,5,7,10-11H2,1-4H3,(H,21,25)/t14-,17-/m0/s1.
What are the key properties of (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide?
(2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 96537661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).