5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

C25H21F5N6O — CID 178092876

IUPAC5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1nc(-c2ccc3c(c2F)CCN3C(=O)Nc2cc(C(F)(F)F)ccc2F)c2c(N)nccn12
InChIInChI=1S/C25H21F5N6O/c1-12(2)23-34-20(21-22(31)32-8-10-36(21)23)15-4-6-18-14(19(15)27)7-9-35(18)24(37)33-17-11-13(25(28,29)30)3-5-16(17)26/h3-6,8,10-12H,7,9H2,1-2H3,(H2,31,32)(H,33,37)
InChIKeyUDFGULREYGSCFK-UHFFFAOYSA-N
MW516.47 g/mol
LogP5.99
Rot. Bonds3

About 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 178092876) has the molecular formula C25H21F5N6O and a molecular weight of 516.47 g/mol. Its IUPAC name is 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID178092876
Molecular FormulaC25H21F5N6O
Molecular Weight516.47 g/mol
Exact Mass516.17
IUPAC Name5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1nc(-c2ccc3c(c2F)CCN3C(=O)Nc2cc(C(F)(F)F)ccc2F)c2c(N)nccn12
InChIInChI=1S/C25H21F5N6O/c1-12(2)23-34-20(21-22(31)32-8-10-36(21)23)15-4-6-18-14(19(15)27)7-9-35(18)24(37)33-17-11-13(25(28,29)30)3-5-16(17)26/h3-6,8,10-12H,7,9H2,1-2H3,(H2,31,32)(H,33,37)
InChIKeyUDFGULREYGSCFK-UHFFFAOYSA-N
XLogP5.99
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.47
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129228976
1-[4-[8-amino-3-[(2R)-butan-2-yl]imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 129228964
1-N-[4-(8-amino-3-methylsulfanylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]ethene-1,1-diamine
CID 59130383
bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane
CID 160676850
1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73425700
4-[8-amino-1-[2-fluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1,4-dimethylcyclohexane-1-carboxylic acid
CID 121455755
4-[8-amino-3-[4-(but-2-ynoylamino)cyclohexen-1-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 138500499
4-[8-amino-3-[(1S)-1-(but-2-ynoylamino)ethyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 129126138
4-[8-amino-3-(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 146311194
4-[3-[(6R,8aS)-6-methyl-3-oxo-5,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 121461268
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 129229027

Frequently Asked Questions

What is the IUPAC name of 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 178092876) is 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is CC(C)c1nc(-c2ccc3c(c2F)CCN3C(=O)Nc2cc(C(F)(F)F)ccc2F)c2c(N)nccn12.
What is the InChIKey of 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is UDFGULREYGSCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N6O/c1-12(2)23-34-20(21-22(31)32-8-10-36(21)23)15-4-6-18-14(19(15)27)7-9-35(18)24(37)33-17-11-13(25(28,29)30)3-5-16(17)26/h3-6,8,10-12H,7,9H2,1-2H3,(H2,31,32)(H,33,37).
What are the key properties of 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 516.47 g/mol, XLogP of 5.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 178092876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).