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

C21H30N4O — CID 141139650

IUPAC2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one
SMILESCC1CCCn2c(C(C)C(=O)C(C)c3cnc4n3CCCC4C)cnc21
InChIInChI=1S/C21H30N4O/c1-13-7-5-9-24-17(11-22-20(13)24)15(3)19(26)16(4)18-12-23-21-14(2)8-6-10-25(18)21/h11-16H,5-10H2,1-4H3
InChIKeyJQRNIJNAGVQZJA-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.35
Rot. Bonds4

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

2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one (PubChem CID 141139650) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one
PubChem CID141139650
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one
SMILESCC1CCCn2c(C(C)C(=O)C(C)c3cnc4n3CCCC4C)cnc21
InChIInChI=1S/C21H30N4O/c1-13-7-5-9-24-17(11-22-20(13)24)15(3)19(26)16(4)18-12-23-21-14(2)8-6-10-25(18)21/h11-16H,5-10H2,1-4H3
InChIKeyJQRNIJNAGVQZJA-UHFFFAOYSA-N
XLogP4.35
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one?
The IUPAC name of 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one (CID 141139650) is 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one is CC1CCCn2c(C(C)C(=O)C(C)c3cnc4n3CCCC4C)cnc21.
What is the InChIKey of 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one?
The InChIKey is JQRNIJNAGVQZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-13-7-5-9-24-17(11-22-20(13)24)15(3)19(26)16(4)18-12-23-21-14(2)8-6-10-25(18)21/h11-16H,5-10H2,1-4H3.
What are the key properties of 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one?
2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one has a molecular weight of 354.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one is sourced from PubChem (CID 141139650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).