4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

C20H21N3O2 — CID 168942132

IUPAC4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCN(C)CC3)ccc12
InChIInChI=1S/C20H21N3O2/c1-14-5-3-4-6-15(14)17-13-19(24)25-20-16(17)7-8-18(21-20)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3
InChIKeyGWSCTFREHAUWGR-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.92
Rot. Bonds2

About 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one

4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 168942132) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID168942132
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCN(C)CC3)ccc12
InChIInChI=1S/C20H21N3O2/c1-14-5-3-4-6-15(14)17-13-19(24)25-20-16(17)7-8-18(21-20)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3
InChIKeyGWSCTFREHAUWGR-UHFFFAOYSA-N
XLogP2.92
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one (CID 168942132) is 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is Cc1ccccc1-c1cc(=O)oc2nc(N3CCN(C)CC3)ccc12.
What is the InChIKey of 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is GWSCTFREHAUWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-5-3-4-6-15(14)17-13-19(24)25-20-16(17)7-8-18(21-20)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one?
4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 168942132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).