(2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide

C18H23N7O2 — CID 120840798

IUPAC(2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
SMILESCc1cc(C)n(-c2ccc(-c3noc(CNC(=O)[C@@H](N)C(C)C)n3)cn2)n1
InChIInChI=1S/C18H23N7O2/c1-10(2)16(19)18(26)21-9-15-22-17(24-27-15)13-5-6-14(20-8-13)25-12(4)7-11(3)23-25/h5-8,10,16H,9,19H2,1-4H3,(H,21,26)/t16-/m0/s1
InChIKeyIVYROQLHUNRAFV-INIZCTEOSA-N
MW369.43 g/mol
LogP1.53
Rot. Bonds6

About (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide

(2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide (PubChem CID 120840798) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
PubChem CID120840798
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
SMILESCc1cc(C)n(-c2ccc(-c3noc(CNC(=O)[C@@H](N)C(C)C)n3)cn2)n1
InChIInChI=1S/C18H23N7O2/c1-10(2)16(19)18(26)21-9-15-22-17(24-27-15)13-5-6-14(20-8-13)25-12(4)7-11(3)23-25/h5-8,10,16H,9,19H2,1-4H3,(H,21,26)/t16-/m0/s1
InChIKeyIVYROQLHUNRAFV-INIZCTEOSA-N
XLogP1.53
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide 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

(2S)-2-amino-N-[[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120840932
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55647434
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 170355390
2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669656
(2S)-2-amino-N-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120842220
(2S)-2-amino-N-[(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutanamide;hydrochloride
CID 120834896
5-[(1R)-1-cyclohexylsulfonyl-2-methylpropyl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 99791757
5-[(1S)-1-cyclohexylsulfonyl-2-methylpropyl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 99791758
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120840761
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide (CID 120840798) is (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide is Cc1cc(C)n(-c2ccc(-c3noc(CNC(=O)[C@@H](N)C(C)C)n3)cn2)n1.
What is the InChIKey of (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The InChIKey is IVYROQLHUNRAFV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-10(2)16(19)18(26)21-9-15-22-17(24-27-15)13-5-6-14(20-8-13)25-12(4)7-11(3)23-25/h5-8,10,16H,9,19H2,1-4H3,(H,21,26)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
(2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide has a molecular weight of 369.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 120840798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).