7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C24H23ClN6 — CID 11235783

About 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11235783) has the molecular formula C24H23ClN6 and a molecular weight of 430.94 g/mol. Its IUPAC name is 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 11235783
• Molecular Formula: C24H23ClN6
• Molecular Weight: 430.94 g/mol
• Exact Mass: 430.17
• IUPAC Name: 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• SMILES: Cc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3c2CCN(Cc2ccccc2)C3)n[nH]1
• InChI: InChI=1S/C24H23ClN6/c1-16-13-22(30-29-16)27-24-20-11-12-31(14-17-5-3-2-4-6-17)15-21(20)26-23(28-24)18-7-9-19(25)10-8-18/h2-10,13H,11-12,14-15H2,1H3,(H2,26,27,28,29,30)
• InChIKey: BUMFUUSDARVQAG-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.94
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11235783) is 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Cc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3c2CCN(Cc2ccccc2)C3)n[nH]1.

What is the InChIKey of 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is BUMFUUSDARVQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6/c1-16-13-22(30-29-16)27-24-20-11-12-31(14-17-5-3-2-4-6-17)15-21(20)26-23(28-24)18-7-9-19(25)10-8-18/h2-10,13H,11-12,14-15H2,1H3,(H2,26,27,28,29,30).

What are the key properties of 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 430.94 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11235783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).