6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C26H23ClFN5 — CID 58865993

About 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 58865993) has the molecular formula C26H23ClFN5 and a molecular weight of 459.96 g/mol. Its IUPAC name is 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• PubChem CID: 58865993
• Molecular Formula: C26H23ClFN5
• Molecular Weight: 459.96 g/mol
• Exact Mass: 459.16
• IUPAC Name: 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• SMILES: Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CN(Cc1ccccc1)CC2
• InChI: InChI=1S/C26H23ClFN5/c1-17-14-29-11-9-23(17)30-26-21-16-33(15-18-5-3-2-4-6-18)12-10-24(21)31-25(32-26)20-13-19(27)7-8-22(20)28/h2-9,11,13-14H,10,12,15-16H2,1H3,(H,29,30,31,32)
• InChIKey: MBZOADSNVUGSMG-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 53.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.96
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The IUPAC name of 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 58865993) is 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CN(Cc1ccccc1)CC2.

What is the InChIKey of 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The InChIKey is MBZOADSNVUGSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5/c1-17-14-29-11-9-23(17)30-26-21-16-33(15-18-5-3-2-4-6-18)12-10-24(21)31-25(32-26)20-13-19(27)7-8-22(20)28/h2-9,11,13-14H,10,12,15-16H2,1H3,(H,29,30,31,32).

What are the key properties of 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 459.96 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58865993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).