4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

C24H22F3N7O — CID 166775231

IUPAC4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
SMILESNc1nccn2c([C@@H]3CCCN3)nc(-c3ccc(C(=O)NCc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C24H22F3N7O/c25-24(26,27)16-7-9-29-17(12-16)13-32-23(35)15-5-3-14(4-6-15)19-20-21(28)31-10-11-34(20)22(33-19)18-2-1-8-30-18/h3-7,9-12,18,30H,1-2,8,13H2,(H2,28,31)(H,32,35)/t18-/m0/s1
InChIKeyCYHKQCKHBGXXLI-SFHVURJKSA-N
MW481.48 g/mol
LogP3.75
Rot. Bonds5

About 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide (PubChem CID 166775231) has the molecular formula C24H22F3N7O and a molecular weight of 481.48 g/mol. Its IUPAC name is 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
PubChem CID166775231
Molecular FormulaC24H22F3N7O
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC Name4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
SMILESNc1nccn2c([C@@H]3CCCN3)nc(-c3ccc(C(=O)NCc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C24H22F3N7O/c25-24(26,27)16-7-9-29-17(12-16)13-32-23(35)15-5-3-14(4-6-15)19-20-21(28)31-10-11-34(20)22(33-19)18-2-1-8-30-18/h3-7,9-12,18,30H,1-2,8,13H2,(H2,28,31)(H,32,35)/t18-/m0/s1
InChIKeyCYHKQCKHBGXXLI-SFHVURJKSA-N
XLogP3.75
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 71226257
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;sulfane
CID 165008323
4-(8-amino-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(5-methyl-2-pyridinyl)benzamide;ethane
CID 145306186
[(1R,3S)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentanecarbonyl] (2R)-pyrrolidine-2-carboxylate
CID 121455840
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide
CID 71226584
[2-[[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzoyl]amino]-4-pyridinyl] but-2-ynoate
CID 146369455
4-[8-amino-3-[(1R,3R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71223028
2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclopentyl]acetic acid
CID 145114131
4-[8-amino-3-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144510170
4-[8-amino-3-[(2S)-1-buta-2,3-dienoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 175021417
4-[8-amino-3-[(3R)-3-(propanoylamino)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144509992
4-[8-amino-3-(1-prop-2-enoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 78131293

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide (CID 166775231) is 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide is Nc1nccn2c([C@@H]3CCCN3)nc(-c3ccc(C(=O)NCc4cc(C(F)(F)F)ccn4)cc3)c12.
What is the InChIKey of 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The InChIKey is CYHKQCKHBGXXLI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22F3N7O/c25-24(26,27)16-7-9-29-17(12-16)13-32-23(35)15-5-3-14(4-6-15)19-20-21(28)31-10-11-34(20)22(33-19)18-2-1-8-30-18/h3-7,9-12,18,30H,1-2,8,13H2,(H2,28,31)(H,32,35)/t18-/m0/s1.
What are the key properties of 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide has a molecular weight of 481.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 166775231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).