[8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol

C25H32N8O — CID 176715237

About [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol

[8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 176715237) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

• Compound Name: [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol
• PubChem CID: 176715237
• Molecular Formula: C25H32N8O
• Molecular Weight: 460.59 g/mol
• Exact Mass: 460.27
• IUPAC Name: [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol
• SMILES: Cc1cc(Nc2ncc3c(n2)N(c2cccc(N)n2)CCC3CO)ccc1N1CCN(C)CC1
• InChI: InChI=1S/C25H32N8O/c1-17-14-19(6-7-21(17)32-12-10-31(2)11-13-32)28-25-27-15-20-18(16-34)8-9-33(24(20)30-25)23-5-3-4-22(26)29-23/h3-7,14-15,18,34H,8-13,16H2,1-2H3,(H2,26,29)(H,27,28,30)
• InChIKey: VTKYANWQLMCOGX-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 106.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.59
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol?

The IUPAC name of [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol (CID 176715237) is [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol.

What is the SMILES notation for [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol?

The canonical SMILES for [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol is Cc1cc(Nc2ncc3c(n2)N(c2cccc(N)n2)CCC3CO)ccc1N1CCN(C)CC1.

What is the InChIKey of [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol?

The InChIKey is VTKYANWQLMCOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O/c1-17-14-19(6-7-21(17)32-12-10-31(2)11-13-32)28-25-27-15-20-18(16-34)8-9-33(24(20)30-25)23-5-3-4-22(26)29-23/h3-7,14-15,18,34H,8-13,16H2,1-2H3,(H2,26,29)(H,27,28,30).

What are the key properties of [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol?

[8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 460.59 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(6-amino-2-pyridinyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 176715237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).