3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H20FN5O2 — CID 109076424

IUPAC3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccccn1)c1nc(C(=O)Nc2cccc(F)c2)n2c1CCCC2
InChIInChI=1S/C21H20FN5O2/c22-14-6-5-8-15(12-14)25-21(29)19-26-18(17-9-2-4-11-27(17)19)20(28)24-13-16-7-1-3-10-23-16/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,24,28)(H,25,29)
InChIKeyOUYUZJFANINNOZ-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.94
Rot. Bonds5

About 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076424) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076424
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccccn1)c1nc(C(=O)Nc2cccc(F)c2)n2c1CCCC2
InChIInChI=1S/C21H20FN5O2/c22-14-6-5-8-15(12-14)25-21(29)19-26-18(17-9-2-4-11-27(17)19)20(28)24-13-16-7-1-3-10-23-16/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,24,28)(H,25,29)
InChIKeyOUYUZJFANINNOZ-UHFFFAOYSA-N
XLogP2.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cyclopentyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074445
3-N-propyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072289
1-N-[(4-fluorophenyl)methyl]-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076351
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-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076939
3-N-pentyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076411
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
1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077486
1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076099
3-N-phenyl-1-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076535
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
3-N-(3,4-difluorophenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073179

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076424) is 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCc1ccccn1)c1nc(C(=O)Nc2cccc(F)c2)n2c1CCCC2.
What is the InChIKey of 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is OUYUZJFANINNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-14-6-5-8-15(12-14)25-21(29)19-26-18(17-9-2-4-11-27(17)19)20(28)24-13-16-7-1-3-10-23-16/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,24,28)(H,25,29).
What are the key properties of 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).