1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H18F2N4O2 — CID 109077486

IUPAC1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1nc(C(=O)Nc2ccccc2)n2c1CCCC2
InChIInChI=1S/C21H18F2N4O2/c22-15-10-9-14(12-16(15)23)25-20(28)18-17-8-4-5-11-27(17)19(26-18)21(29)24-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,24,29)(H,25,28)
InChIKeyIRIXYAVOUZKITR-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.00
Rot. Bonds4

About 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077486) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077486
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1nc(C(=O)Nc2ccccc2)n2c1CCCC2
InChIInChI=1S/C21H18F2N4O2/c22-15-10-9-14(12-16(15)23)25-20(28)18-17-8-4-5-11-27(17)19(26-18)21(29)24-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,24,29)(H,25,28)
InChIKeyIRIXYAVOUZKITR-UHFFFAOYSA-N
XLogP4.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
3-N-(3,4-difluorophenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073179
3-N-(2-chlorophenyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077444
1-N-[(4-fluorophenyl)methyl]-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076351
1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076195
1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077503
3-N-phenyl-1-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076535
1-N-phenyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076518
1-N-butan-2-yl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073890
3-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073677
N-(3-fluorophenyl)-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074591
3-N-(3-fluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077606

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077486) is 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(Nc1ccc(F)c(F)c1)c1nc(C(=O)Nc2ccccc2)n2c1CCCC2.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is IRIXYAVOUZKITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c22-15-10-9-14(12-16(15)23)25-20(28)18-17-8-4-5-11-27(17)19(26-18)21(29)24-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,24,29)(H,25,28).
What are the key properties of 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).