4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine

C44H46F2N12O2 — CID 158775920

About 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine

4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine (PubChem CID 158775920) has the molecular formula C44H46F2N12O2 and a molecular weight of 812.93 g/mol. Its IUPAC name is 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
• PubChem CID: 158775920
• Molecular Formula: C44H46F2N12O2
• Molecular Weight: 812.93 g/mol
• Exact Mass: 812.38
• IUPAC Name: 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
• SMILES: CC1c2cnc(-c3ccccn3)nc2CCN1c1cc(F)cc(N2CCOCC2)n1.CC1c2cnc(-c3ccccn3)nc2CCN1c1cc(N2CCOCC2)cc(F)n1
• InChI: InChI=1S/2C22H23FN6O/c1-15-17-14-25-22(19-4-2-3-6-24-19)26-18(17)5-7-29(15)21-13-16(12-20(23)27-21)28-8-10-30-11-9-28;1-15-17-14-25-22(19-4-2-3-6-24-19)26-18(17)5-7-29(15)21-13-16(23)12-20(27-21)28-8-10-30-11-9-28/h2*2-4,6,12-15H,5,7-11H2,1H3
• InChIKey: IQLUYBYMZUNFIC-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 134.54 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	812.93
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine?

The IUPAC name of 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine (CID 158775920) is 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine?

The canonical SMILES for 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine is CC1c2cnc(-c3ccccn3)nc2CCN1c1cc(F)cc(N2CCOCC2)n1.CC1c2cnc(-c3ccccn3)nc2CCN1c1cc(N2CCOCC2)cc(F)n1.

What is the InChIKey of 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine?

The InChIKey is IQLUYBYMZUNFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23FN6O/c1-15-17-14-25-22(19-4-2-3-6-24-19)26-18(17)5-7-29(15)21-13-16(12-20(23)27-21)28-8-10-30-11-9-28;1-15-17-14-25-22(19-4-2-3-6-24-19)26-18(17)5-7-29(15)21-13-16(23)12-20(27-21)28-8-10-30-11-9-28/h2*2-4,6,12-15H,5,7-11H2,1H3.

What are the key properties of 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine?

4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine has a molecular weight of 812.93 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 158775920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).