2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one

C19H26N4O — CID 141139638

IUPAC2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one
SMILESCC(C(=O)C(C)c1cnc2n1CCCC2)c1cnc2n1CCCC2
InChIInChI=1S/C19H26N4O/c1-13(15-11-20-17-7-3-5-9-22(15)17)19(24)14(2)16-12-21-18-8-4-6-10-23(16)18/h11-14H,3-10H2,1-2H3
InChIKeyQORAVGBZIJGXKL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.23
Rot. Bonds4

About 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one

2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one (PubChem CID 141139638) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one
PubChem CID141139638
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one
SMILESCC(C(=O)C(C)c1cnc2n1CCCC2)c1cnc2n1CCCC2
InChIInChI=1S/C19H26N4O/c1-13(15-11-20-17-7-3-5-9-22(15)17)19(24)14(2)16-12-21-18-8-4-6-10-23(16)18/h11-14H,3-10H2,1-2H3
InChIKeyQORAVGBZIJGXKL-UHFFFAOYSA-N
XLogP3.23
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one?
The IUPAC name of 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one (CID 141139638) is 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one is CC(C(=O)C(C)c1cnc2n1CCCC2)c1cnc2n1CCCC2.
What is the InChIKey of 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one?
The InChIKey is QORAVGBZIJGXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(15-11-20-17-7-3-5-9-22(15)17)19(24)14(2)16-12-21-18-8-4-6-10-23(16)18/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one?
2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one has a molecular weight of 326.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one is sourced from PubChem (CID 141139638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).