4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol

C25H28ClN3O2 — CID 126618867

About 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol

4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol (PubChem CID 126618867) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol.

Molecular Properties

• Compound Name: 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol
• PubChem CID: 126618867
• Molecular Formula: C25H28ClN3O2
• Molecular Weight: 437.97 g/mol
• Exact Mass: 437.19
• IUPAC Name: 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol
• SMILES: CC(CCO)CN1CCc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)ncc2C1
• InChI: InChI=1S/C25H28ClN3O2/c1-18(11-13-30)15-29-12-10-24-21(16-29)14-27-25(28-24)20-4-8-23(9-5-20)31-17-19-2-6-22(26)7-3-19/h2-9,14,18,30H,10-13,15-17H2,1H3
• InChIKey: DGKSPFFPXKXDPQ-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.97
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol?

The IUPAC name of 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol (CID 126618867) is 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol.

What is the SMILES notation for 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol?

The canonical SMILES for 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol is CC(CCO)CN1CCc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)ncc2C1.

What is the InChIKey of 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol?

The InChIKey is DGKSPFFPXKXDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-18(11-13-30)15-29-12-10-24-21(16-29)14-27-25(28-24)20-4-8-23(9-5-20)31-17-19-2-6-22(26)7-3-19/h2-9,14,18,30H,10-13,15-17H2,1H3.

What are the key properties of 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol?

4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol has a molecular weight of 437.97 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 126618867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).