2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one

C23H28N6O — CID 145424515

IUPAC2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one
SMILESCc1cccnc1C1CC(=O)CC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1
InChIInChI=1S/C23H28N6O/c1-16-5-4-8-24-23(16)19-14-17(30)13-18(25-19)20-15-29-21(26-20)6-3-7-22(29)28-11-9-27(2)10-12-28/h3-8,15,18-19,25H,9-14H2,1-2H3
InChIKeyCAQDDPGEHWVODH-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.52
Rot. Bonds3

About 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one

2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one (PubChem CID 145424515) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one
PubChem CID145424515
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one
SMILESCc1cccnc1C1CC(=O)CC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1
InChIInChI=1S/C23H28N6O/c1-16-5-4-8-24-23(16)19-14-17(30)13-18(25-19)20-15-29-21(26-20)6-3-7-22(29)28-11-9-27(2)10-12-28/h3-8,15,18-19,25H,9-14H2,1-2H3
InChIKeyCAQDDPGEHWVODH-UHFFFAOYSA-N
XLogP2.52
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one?
The IUPAC name of 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one (CID 145424515) is 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one.
What is the SMILES notation for 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one?
The canonical SMILES for 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one is Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.
What is the InChIKey of 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one?
The InChIKey is CAQDDPGEHWVODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16-5-4-8-24-23(16)19-14-17(30)13-18(25-19)20-15-29-21(26-20)6-3-7-22(29)28-11-9-27(2)10-12-28/h3-8,15,18-19,25H,9-14H2,1-2H3.
What are the key properties of 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one?
2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one has a molecular weight of 404.52 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one is sourced from PubChem (CID 145424515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).