4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one

C19H20F2N4O2 — CID 72869686

IUPAC4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)CC1=O
InChIInChI=1S/C19H20F2N4O2/c1-2-24-9-11(7-17(24)26)19(27)25-6-5-15-16(10-25)23-18(22-15)13-4-3-12(20)8-14(13)21/h3-4,8,11H,2,5-7,9-10H2,1H3,(H,22,23)
InChIKeyIWMBBZRPLSAERO-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.11
Rot. Bonds3

About 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one

4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one (PubChem CID 72869686) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one
PubChem CID72869686
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)CC1=O
InChIInChI=1S/C19H20F2N4O2/c1-2-24-9-11(7-17(24)26)19(27)25-6-5-15-16(10-25)23-18(22-15)13-4-3-12(20)8-14(13)21/h3-4,8,11H,2,5-7,9-10H2,1H3,(H,22,23)
InChIKeyIWMBBZRPLSAERO-UHFFFAOYSA-N
XLogP2.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one (CID 72869686) is 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one is CCN1CC(C(=O)N2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)CC1=O.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one?
The InChIKey is IWMBBZRPLSAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-2-24-9-11(7-17(24)26)19(27)25-6-5-15-16(10-25)23-18(22-15)13-4-3-12(20)8-14(13)21/h3-4,8,11H,2,5-7,9-10H2,1H3,(H,22,23).
What are the key properties of 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one?
4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one has a molecular weight of 374.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 72869686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).