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

C19H18FN3O2 — CID 134809924

IUPAC8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
SMILESCN1CCN(c2cc(=O)c3ccnc(-c4cccc(F)c4)c3o2)CC1
InChIInChI=1S/C19H18FN3O2/c1-22-7-9-23(10-8-22)17-12-16(24)15-5-6-21-18(19(15)25-17)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3
InChIKeyYSCVCGQOAJJJNB-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.75
Rot. Bonds2

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

8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one (PubChem CID 134809924) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
PubChem CID134809924
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
SMILESCN1CCN(c2cc(=O)c3ccnc(-c4cccc(F)c4)c3o2)CC1
InChIInChI=1S/C19H18FN3O2/c1-22-7-9-23(10-8-22)17-12-16(24)15-5-6-21-18(19(15)25-17)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3
InChIKeyYSCVCGQOAJJJNB-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-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one (CID 134809924) is 8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one is CN1CCN(c2cc(=O)c3ccnc(-c4cccc(F)c4)c3o2)CC1.
What is the InChIKey of 8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one?
The InChIKey is YSCVCGQOAJJJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22-7-9-23(10-8-22)17-12-16(24)15-5-6-21-18(19(15)25-17)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 8-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one?
8-(3-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-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134809924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).