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

C23H21F3N6O — CID 129228976

IUPAC1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)c1nc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c2c(N)nccn12
InChIInChI=1S/C23H21F3N6O/c1-13(2)21-31-18(19-20(27)28-11-12-32(19)21)14-3-7-16(8-4-14)29-22(33)30-17-9-5-15(6-10-17)23(24,25)26/h3-13H,1-2H3,(H2,27,28)(H2,29,30,33)
InChIKeyKCYABAJWCWRGFR-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.76
Rot. Bonds4

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

1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 129228976) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID129228976
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)c1nc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c2c(N)nccn12
InChIInChI=1S/C23H21F3N6O/c1-13(2)21-31-18(19-20(27)28-11-12-32(19)21)14-3-7-16(8-4-14)29-22(33)30-17-9-5-15(6-10-17)23(24,25)26/h3-13H,1-2H3,(H2,27,28)(H2,29,30,33)
InChIKeyKCYABAJWCWRGFR-UHFFFAOYSA-N
XLogP5.76
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 129229027
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
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
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
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
4-[8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90323767
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
3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-3-methyl-1-propan-2-ylcyclopentane-1-carboxylic acid
CID 121455539
cis-(1S,3S)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid
CID 121455876
1,3-di(propan-2-yl)imidazo[1,5-a]pyrazin-8-amine
CID 59341166
1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73425700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 129228976) is 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is CC(C)c1nc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c2c(N)nccn12.
What is the InChIKey of 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is KCYABAJWCWRGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-13(2)21-31-18(19-20(27)28-11-12-32(19)21)14-3-7-16(8-4-14)29-22(33)30-17-9-5-15(6-10-17)23(24,25)26/h3-13H,1-2H3,(H2,27,28)(H2,29,30,33).
What are the key properties of 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 454.46 g/mol, XLogP of 5.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 129228976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).