3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C18H19F3N4O2 — CID 109072711

IUPAC3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)Nc2ccc(F)c(F)c2F)c2n1CCCC2
InChIInChI=1S/C18H19F3N4O2/c1-9(2)22-18(27)16-24-15(12-5-3-4-8-25(12)16)17(26)23-11-7-6-10(19)13(20)14(11)21/h6-7,9H,3-5,8H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyQGKWDSPUONNHQE-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.03
Rot. Bonds4

About 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072711) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072711
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)Nc2ccc(F)c(F)c2F)c2n1CCCC2
InChIInChI=1S/C18H19F3N4O2/c1-9(2)22-18(27)16-24-15(12-5-3-4-8-25(12)16)17(26)23-11-7-6-10(19)13(20)14(11)21/h6-7,9H,3-5,8H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyQGKWDSPUONNHQE-UHFFFAOYSA-N
XLogP3.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-N-(5-chloro-2-methoxyphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072668
1-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072640
methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109072689
1-N-(2,6-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072643
1-N-(2-methoxy-5-methylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072674
3-N-(2-chlorophenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072504
1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072685
1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072521
3-N-propan-2-yl-1-N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072681
1-N-butan-2-yl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072565
3-N-[(4-chlorophenyl)methyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072439
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584

Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072711) is 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)NC(=O)c1nc(C(=O)Nc2ccc(F)c(F)c2F)c2n1CCCC2.
What is the InChIKey of 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QGKWDSPUONNHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-9(2)22-18(27)16-24-15(12-5-3-4-8-25(12)16)17(26)23-11-7-6-10(19)13(20)14(11)21/h6-7,9H,3-5,8H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-yl-1-N-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).