2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one

C20H19N7O — CID 135433022

IUPAC2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(N2CCN(c3cccc4nccn34)CC2)[nH]1
InChIInChI=1S/C20H19N7O/c28-18-14-16(15-4-6-21-7-5-15)23-20(24-18)26-12-10-25(11-13-26)19-3-1-2-17-22-8-9-27(17)19/h1-9,14H,10-13H2,(H,23,24,28)
InChIKeyAVPWIIBHCDGDQX-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.81
Rot. Bonds3

About 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135433022) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135433022
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(N2CCN(c3cccc4nccn34)CC2)[nH]1
InChIInChI=1S/C20H19N7O/c28-18-14-16(15-4-6-21-7-5-15)23-20(24-18)26-12-10-25(11-13-26)19-3-1-2-17-22-8-9-27(17)19/h1-9,14H,10-13H2,(H,23,24,28)
InChIKeyAVPWIIBHCDGDQX-UHFFFAOYSA-N
XLogP1.81
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135433022) is 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(N2CCN(c3cccc4nccn34)CC2)[nH]1.
What is the InChIKey of 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is AVPWIIBHCDGDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c28-18-14-16(15-4-6-21-7-5-15)23-20(24-18)26-12-10-25(11-13-26)19-3-1-2-17-22-8-9-27(17)19/h1-9,14H,10-13H2,(H,23,24,28).
What are the key properties of 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 373.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135433022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).