[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone

C18H14F2N4O — CID 72869829

IUPAC[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1
InChIInChI=1S/C18H14F2N4O/c19-12-3-4-13(14(20)8-12)17-22-15-5-7-24(10-16(15)23-17)18(25)11-2-1-6-21-9-11/h1-4,6,8-9H,5,7,10H2,(H,22,23)
InChIKeyHKOYMAYGTDXOGW-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.95
Rot. Bonds2

About [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone

[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone (PubChem CID 72869829) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
PubChem CID72869829
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1
InChIInChI=1S/C18H14F2N4O/c19-12-3-4-13(14(20)8-12)17-22-15-5-7-24(10-16(15)23-17)18(25)11-2-1-6-21-9-11/h1-4,6,8-9H,5,7,10H2,(H,22,23)
InChIKeyHKOYMAYGTDXOGW-UHFFFAOYSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone (CID 72869829) is [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1.
What is the InChIKey of [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
The InChIKey is HKOYMAYGTDXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-12-3-4-13(14(20)8-12)17-22-15-5-7-24(10-16(15)23-17)18(25)11-2-1-6-21-9-11/h1-4,6,8-9H,5,7,10H2,(H,22,23).
What are the key properties of [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone?
[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone has a molecular weight of 340.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 72869829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).