3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

C26H31N5O2 — CID 112808872

About 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 112808872) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 112808872
• Molecular Formula: C26H31N5O2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.25
• IUPAC Name: 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: Cc1ccn2c(CN3CCN(C(=O)CCC4Cc5ccccc5NC4=O)CC3)c(C)nc2c1
• InChI: InChI=1S/C26H31N5O2/c1-18-9-10-31-23(19(2)27-24(31)15-18)17-29-11-13-30(14-12-29)25(32)8-7-21-16-20-5-3-4-6-22(20)28-26(21)33/h3-6,9-10,15,21H,7-8,11-14,16-17H2,1-2H3,(H,28,33)
• InChIKey: FDKYIYGSYNWTGZ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 112808872) is 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccn2c(CN3CCN(C(=O)CCC4Cc5ccccc5NC4=O)CC3)c(C)nc2c1.

What is the InChIKey of 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is FDKYIYGSYNWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18-9-10-31-23(19(2)27-24(31)15-18)17-29-11-13-30(14-12-29)25(32)8-7-21-16-20-5-3-4-6-22(20)28-26(21)33/h3-6,9-10,15,21H,7-8,11-14,16-17H2,1-2H3,(H,28,33).

What are the key properties of 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?

3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 445.57 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 112808872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).