2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C20H22F3N5O4 — CID 156514195

IUPAC2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCOCC1CCN1C(=O)c1nc(-c2cc(C(O)(C(N)=O)C(F)(F)F)ccc2C)cnc1N
InChIInChI=1S/C20H22F3N5O4/c1-10-3-4-11(19(31,18(25)30)20(21,22)23)7-13(10)14-8-26-16(24)15(27-14)17(29)28-6-5-12(28)9-32-2/h3-4,7-8,12,31H,5-6,9H2,1-2H3,(H2,24,26)(H2,25,30)
InChIKeyLPDDCCDIECYMKZ-UHFFFAOYSA-N
MW453.42 g/mol
LogP1.13
Rot. Bonds6

About 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 156514195) has the molecular formula C20H22F3N5O4 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID156514195
Molecular FormulaC20H22F3N5O4
Molecular Weight453.42 g/mol
Exact Mass453.16
IUPAC Name2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCOCC1CCN1C(=O)c1nc(-c2cc(C(O)(C(N)=O)C(F)(F)F)ccc2C)cnc1N
InChIInChI=1S/C20H22F3N5O4/c1-10-3-4-11(19(31,18(25)30)20(21,22)23)7-13(10)14-8-26-16(24)15(27-14)17(29)28-6-5-12(28)9-32-2/h3-4,7-8,12,31H,5-6,9H2,1-2H3,(H2,24,26)(H2,25,30)
InChIKeyLPDDCCDIECYMKZ-UHFFFAOYSA-N
XLogP1.13
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide 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 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 156514195) is 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is COCC1CCN1C(=O)c1nc(-c2cc(C(O)(C(N)=O)C(F)(F)F)ccc2C)cnc1N.
What is the InChIKey of 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is LPDDCCDIECYMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O4/c1-10-3-4-11(19(31,18(25)30)20(21,22)23)7-13(10)14-8-26-16(24)15(27-14)17(29)28-6-5-12(28)9-32-2/h3-4,7-8,12,31H,5-6,9H2,1-2H3,(H2,24,26)(H2,25,30).
What are the key properties of 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 453.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 156514195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).