N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide

C17H13F3N4O — CID 134793823

IUPACN-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NC1CC1)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-3-1-2-10(8-11)14-13-9-21-6-7-24(13)15(23-14)16(25)22-12-4-5-12/h1-3,6-9,12H,4-5H2,(H,22,25)
InChIKeyDJBHDNXDOYZRGN-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.31
Rot. Bonds3

About N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide

N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134793823) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134793823
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC NameN-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NC1CC1)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-3-1-2-10(8-11)14-13-9-21-6-7-24(13)15(23-14)16(25)22-12-4-5-12/h1-3,6-9,12H,4-5H2,(H,22,25)
InChIKeyDJBHDNXDOYZRGN-UHFFFAOYSA-N
XLogP3.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134794732
N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 134791991
N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171926382
N-(4-hydroxycyclohexyl)-5-(3-methylimidazo[1,5-a]pyrazin-1-yl)pyridine-2-carboxamide
CID 176790846
N-cyclopropyl-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788054
N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 154654049
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone
CID 134794746
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690054
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 67007568
N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134792857

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide (CID 134793823) is N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide is O=C(NC1CC1)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12.
What is the InChIKey of N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is DJBHDNXDOYZRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)11-3-1-2-10(8-11)14-13-9-21-6-7-24(13)15(23-14)16(25)22-12-4-5-12/h1-3,6-9,12H,4-5H2,(H,22,25).
What are the key properties of N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134793823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).