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

C20H22F3N5O3 — CID 150751838

IUPAC2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCC2(C)C)n1
InChIInChI=1S/C20H22F3N5O3/c1-10-4-5-11(19(31,17(25)30)20(21,22)23)8-12(10)13-9-26-15(24)14(27-13)16(29)28-7-6-18(28,2)3/h4-5,8-9,31H,6-7H2,1-3H3,(H2,24,26)(H2,25,30)
InChIKeyJWAKZHZAARAAPB-UHFFFAOYSA-N
MW437.42 g/mol
LogP1.89
Rot. Bonds4

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

2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 150751838) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID150751838
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCC2(C)C)n1
InChIInChI=1S/C20H22F3N5O3/c1-10-4-5-11(19(31,17(25)30)20(21,22)23)8-12(10)13-9-26-15(24)14(27-13)16(29)28-7-6-18(28,2)3/h4-5,8-9,31H,6-7H2,1-3H3,(H2,24,26)(H2,25,30)
InChIKeyJWAKZHZAARAAPB-UHFFFAOYSA-N
XLogP1.89
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazine-2-carboxamide
CID 156514188
2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 156514195
3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
CID 150317870
3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-cyano-1-bicyclo[1.1.1]pentanyl)pyrazine-2-carboxamide
CID 150595972
2-[3-[5-amino-6-(3-methoxyprop-1-ynyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 153389218
2-[3-[5-amino-6-(4-hydroxypent-1-ynyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 151836507
2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)
CID 156514181
2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid
CID 156514081
2-[3-[5-amino-6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 151027623
5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide
CID 152592478
2-[3-[5-amino-6-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid
CID 175815284
3-amino-N-[4-(hydroxymethyl)-1-bicyclo[2.1.1]hexanyl]-6-[2-methyl-5-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]phenyl]pyrazine-2-carboxamide
CID 171392725

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 150751838) is 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCC2(C)C)n1.
What is the InChIKey of 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is JWAKZHZAARAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-10-4-5-11(19(31,17(25)30)20(21,22)23)8-12(10)13-9-26-15(24)14(27-13)16(29)28-7-6-18(28,2)3/h4-5,8-9,31H,6-7H2,1-3H3,(H2,24,26)(H2,25,30).
What are the key properties of 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 437.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 150751838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).