3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C14H20F2N4O — CID 139530394

IUPAC3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(cnc2C2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H20F2N4O/c1-17-13(21)19-6-7-20-11(9-19)8-18-12(20)10-2-4-14(15,16)5-3-10/h8,10H,2-7,9H2,1H3,(H,17,21)
InChIKeyLQRNOFJWMVBFBQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.33
Rot. Bonds1

About 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530394) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530394
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(cnc2C2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H20F2N4O/c1-17-13(21)19-6-7-20-11(9-19)8-18-12(20)10-2-4-14(15,16)5-3-10/h8,10H,2-7,9H2,1H3,(H,17,21)
InChIKeyLQRNOFJWMVBFBQ-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 21983608
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97407000
N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440498
N-cyclopentyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97471138
7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97523269
methyl({[2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-yl]methyl})amine dihydrochloride
CID 132300981
3-{[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]methyl}-N-ethyltetrahydro-1(2H)-pyridinecarboxamide
CID 91923909
N-Ethyl-3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}piperidine-1-carboxamide
CID 110203836
N-Methyl-3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}piperidine-1-carboxamide
CID 110203838
4-[(2-cyclobutyl-5-methylimidazol-1-yl)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 124047130
7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118743304

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530394) is 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(cnc2C2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is LQRNOFJWMVBFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-17-13(21)19-6-7-20-11(9-19)8-18-12(20)10-2-4-14(15,16)5-3-10/h8,10H,2-7,9H2,1H3,(H,17,21).
What are the key properties of 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).