8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one

C19H18FN3O2 — CID 134810479

IUPAC8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
SMILESCN1CCN(c2cc(=O)c3ccnc(-c4ccc(F)cc4)c3o2)CC1
InChIInChI=1S/C19H18FN3O2/c1-22-8-10-23(11-9-22)17-12-16(24)15-6-7-21-18(19(15)25-17)13-2-4-14(20)5-3-13/h2-7,12H,8-11H2,1H3
InChIKeyAGIBQCBFIASDAM-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.75
Rot. Bonds2

About 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one

8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one (PubChem CID 134810479) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
PubChem CID134810479
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
SMILESCN1CCN(c2cc(=O)c3ccnc(-c4ccc(F)cc4)c3o2)CC1
InChIInChI=1S/C19H18FN3O2/c1-22-8-10-23(11-9-22)17-12-16(24)15-6-7-21-18(19(15)25-17)13-2-4-14(20)5-3-13/h2-7,12H,8-11H2,1H3
InChIKeyAGIBQCBFIASDAM-UHFFFAOYSA-N
XLogP2.75
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one (CID 134810479) is 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one is CN1CCN(c2cc(=O)c3ccnc(-c4ccc(F)cc4)c3o2)CC1.
What is the InChIKey of 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one?
The InChIKey is AGIBQCBFIASDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22-8-10-23(11-9-22)17-12-16(24)15-6-7-21-18(19(15)25-17)13-2-4-14(20)5-3-13/h2-7,12H,8-11H2,1H3.
What are the key properties of 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one?
8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one has a molecular weight of 339.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134810479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).