2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one

C23H20N4O2 — CID 44562359

IUPAC2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4cncnc4)ccn3)cccc12
InChIInChI=1S/C23H20N4O2/c28-21-12-22(27-9-2-1-3-10-27)29-23-18(5-4-6-19(21)23)20-11-16(7-8-26-20)17-13-24-15-25-14-17/h4-8,11-15H,1-3,9-10H2
InChIKeyKSJITUCEMODYOV-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.30
Rot. Bonds3

About 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one

2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one (PubChem CID 44562359) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one
PubChem CID44562359
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4cncnc4)ccn3)cccc12
InChIInChI=1S/C23H20N4O2/c28-21-12-22(27-9-2-1-3-10-27)29-23-18(5-4-6-19(21)23)20-11-16(7-8-26-20)17-13-24-15-25-14-17/h4-8,11-15H,1-3,9-10H2
InChIKeyKSJITUCEMODYOV-UHFFFAOYSA-N
XLogP4.30
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one?
The IUPAC name of 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one (CID 44562359) is 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one.
What is the SMILES notation for 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one?
The canonical SMILES for 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3cc(-c4cncnc4)ccn3)cccc12.
What is the InChIKey of 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one?
The InChIKey is KSJITUCEMODYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-21-12-22(27-9-2-1-3-10-27)29-23-18(5-4-6-19(21)23)20-11-16(7-8-26-20)17-13-24-15-25-14-17/h4-8,11-15H,1-3,9-10H2.
What are the key properties of 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one?
2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one has a molecular weight of 384.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-8-(4-pyrimidin-5-yl-2-pyridinyl)chromen-4-one is sourced from PubChem (CID 44562359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).