1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide

C18H19FN4O — CID 134790638

IUPAC1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)n2ccncc12
InChIInChI=1S/C18H19FN4O/c1-18(2,3)15-14-11-20-8-9-23(14)16(22-15)17(24)21-10-12-4-6-13(19)7-5-12/h4-9,11H,10H2,1-3H3,(H,21,24)
InChIKeyXBWJMDPSUYYCSP-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.10
Rot. Bonds3

About 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide

1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134790638) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134790638
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)n2ccncc12
InChIInChI=1S/C18H19FN4O/c1-18(2,3)15-14-11-20-8-9-23(14)16(22-15)17(24)21-10-12-4-6-13(19)7-5-12/h4-9,11H,10H2,1-3H3,(H,21,24)
InChIKeyXBWJMDPSUYYCSP-UHFFFAOYSA-N
XLogP3.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-tert-butylimidazo[1,5-a]pyrazine-3-carbonyl)amino]acetate
CID 134789592
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134791778
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 134793631
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948
N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
CID 39869812
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
3-N-[(4-fluorophenyl)methyl]-1-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070511
CID 134787407
CID 134787407
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyrazine-2-carbonylamino)propan-2-yl]-1H-pyrimidine-4-carboxamide
CID 135598679

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide (CID 134790638) is 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)n2ccncc12.
What is the InChIKey of 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is XBWJMDPSUYYCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-18(2,3)15-14-11-20-8-9-23(14)16(22-15)17(24)21-10-12-4-6-13(19)7-5-12/h4-9,11H,10H2,1-3H3,(H,21,24).
What are the key properties of 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide?
1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134790638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).