3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one

C20H18ClN5O2 — CID 71731282

IUPAC3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESO=c1oc2nc(N3CCCNCC3)ccc2cc1-c1cn2cccc(Cl)c2n1
InChIInChI=1S/C20H18ClN5O2/c21-15-3-1-8-26-12-16(23-18(15)26)14-11-13-4-5-17(24-19(13)28-20(14)27)25-9-2-6-22-7-10-25/h1,3-5,8,11-12,22H,2,6-7,9-10H2
InChIKeyGNZDRRVEWCDHCN-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.96
Rot. Bonds2

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 71731282) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID71731282
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESO=c1oc2nc(N3CCCNCC3)ccc2cc1-c1cn2cccc(Cl)c2n1
InChIInChI=1S/C20H18ClN5O2/c21-15-3-1-8-26-12-16(23-18(15)26)14-11-13-4-5-17(24-19(13)28-20(14)27)25-9-2-6-22-7-10-25/h1,3-5,8,11-12,22H,2,6-7,9-10H2
InChIKeyGNZDRRVEWCDHCN-UHFFFAOYSA-N
XLogP2.96
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one (CID 71731282) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one is O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1cn2cccc(Cl)c2n1.
What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is GNZDRRVEWCDHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-15-3-1-8-26-12-16(23-18(15)26)14-11-13-4-5-17(24-19(13)28-20(14)27)25-9-2-6-22-7-10-25/h1,3-5,8,11-12,22H,2,6-7,9-10H2.
What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 395.85 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71731282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).