hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one

C20H20ClN5O3 — CID 146191096

IUPAChypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
SMILESCc1ccc2nc(-c3cc4ccc(N5CCNCC5)nc4oc3=O)cn2c1.OCl
InChIInChI=1S/C20H19N5O2.ClHO/c1-13-2-4-17-22-16(12-25(17)11-13)15-10-14-3-5-18(23-19(14)27-20(15)26)24-8-6-21-7-9-24;1-2/h2-5,10-12,21H,6-9H2,1H3;2H
InChIKeySTSZQYLIEPKNPV-UHFFFAOYSA-N
MW413.87 g/mol
LogP2.35
Rot. Bonds2

About hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one

hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one (PubChem CID 146191096) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Namehypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
PubChem CID146191096
Molecular FormulaC20H20ClN5O3
Molecular Weight413.87 g/mol
Exact Mass413.13
IUPAC Namehypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one
SMILESCc1ccc2nc(-c3cc4ccc(N5CCNCC5)nc4oc3=O)cn2c1.OCl
InChIInChI=1S/C20H19N5O2.ClHO/c1-13-2-4-17-22-16(12-25(17)11-13)15-10-14-3-5-18(23-19(14)27-20(15)26)24-8-6-21-7-9-24;1-2/h2-5,10-12,21H,6-9H2,1H3;2H
InChIKeySTSZQYLIEPKNPV-UHFFFAOYSA-N
XLogP2.35
TPSA95.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The IUPAC name of hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one (CID 146191096) is hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The canonical SMILES for hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one is Cc1ccc2nc(-c3cc4ccc(N5CCNCC5)nc4oc3=O)cn2c1.OCl.
What is the InChIKey of hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
The InChIKey is STSZQYLIEPKNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2.ClHO/c1-13-2-4-17-22-16(12-25(17)11-13)15-10-14-3-5-18(23-19(14)27-20(15)26)24-8-6-21-7-9-24;1-2/h2-5,10-12,21H,6-9H2,1H3;2H.
What are the key properties of hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one?
hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one has a molecular weight of 413.87 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 146191096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).