3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H27FN4O2 — CID 109076939

IUPAC3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1nc(C(=O)NC2CCCCCC2)n2c1CCCC2
InChIInChI=1S/C22H27FN4O2/c23-15-8-7-11-17(14-15)25-21(28)19-18-12-5-6-13-27(18)20(26-19)22(29)24-16-9-3-1-2-4-10-16/h7-8,11,14,16H,1-6,9-10,12-13H2,(H,24,29)(H,25,28)
InChIKeyJLGNBLVGAUGOQS-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.06
Rot. Bonds4

About 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076939) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076939
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1nc(C(=O)NC2CCCCCC2)n2c1CCCC2
InChIInChI=1S/C22H27FN4O2/c23-15-8-7-11-17(14-15)25-21(28)19-18-12-5-6-13-27(18)20(26-19)22(29)24-16-9-3-1-2-4-10-16/h7-8,11,14,16H,1-6,9-10,12-13H2,(H,24,29)(H,25,28)
InChIKeyJLGNBLVGAUGOQS-UHFFFAOYSA-N
XLogP4.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074474
N-(3-fluorophenyl)-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074591
3-N-cycloheptyl-1-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074720
3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073023
3-N-cyclohexyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074806
3-N-cyclopentyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074492
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
3-N-cyclopentyl-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074498
3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076424
3-N-cyclohexyl-1-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074793
3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074451
1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076181

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076939) is 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(Nc1cccc(F)c1)c1nc(C(=O)NC2CCCCCC2)n2c1CCCC2.
What is the InChIKey of 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is JLGNBLVGAUGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c23-15-8-7-11-17(14-15)25-21(28)19-18-12-5-6-13-27(18)20(26-19)22(29)24-16-9-3-1-2-4-10-16/h7-8,11,14,16H,1-6,9-10,12-13H2,(H,24,29)(H,25,28).
What are the key properties of 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).