N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C18H20F3N5O2 — CID 146108758

IUPACN-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1cc(=O)[nH]c(C2CCC2)n1)c1nc(C(F)(F)F)n2c1CCCC2
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)17-25-14(12-6-1-2-7-26(12)17)16(28)22-9-11-8-13(27)24-15(23-11)10-4-3-5-10/h8,10H,1-7,9H2,(H,22,28)(H,23,24,27)
InChIKeyGHJXZGMEEXWFCG-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.52
Rot. Bonds4

About N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 146108758) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID146108758
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC NameN-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1cc(=O)[nH]c(C2CCC2)n1)c1nc(C(F)(F)F)n2c1CCCC2
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)17-25-14(12-6-1-2-7-26(12)17)16(28)22-9-11-8-13(27)24-15(23-11)10-4-3-5-10/h8,10H,1-7,9H2,(H,22,28)(H,23,24,27)
InChIKeyGHJXZGMEEXWFCG-UHFFFAOYSA-N
XLogP2.52
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786877
[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 138030966
Cyclopentyl-(3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazin-1-yl)-methanone
CID 57518459
2-Methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane
CID 143827431
7-[3-amino-4-(3,5,7-trifluoro-2-bicyclo[4.1.0]hepta-2,4-dienyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 143827452
5-Methyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]-2,5,7-triazaspiro[3.4]octan-8-one
CID 154847724
3-N-(2,4-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076984
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076990
3-N-(3,4-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076991
1-N-(2,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077035
1-N-(2,6-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077041
1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077042

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 146108758) is N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(NCc1cc(=O)[nH]c(C2CCC2)n1)c1nc(C(F)(F)F)n2c1CCCC2.
What is the InChIKey of N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is GHJXZGMEEXWFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c19-18(20,21)17-25-14(12-6-1-2-7-26(12)17)16(28)22-9-11-8-13(27)24-15(23-11)10-4-3-5-10/h8,10H,1-7,9H2,(H,22,28)(H,23,24,27).
What are the key properties of N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 146108758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).