2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C34H35N7O2 — CID 171056949

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 171056949) has the molecular formula C34H35N7O2 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 171056949
• Molecular Formula: C34H35N7O2
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.29
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4ncccc4CC4CCN(C)CC4)cc3)c2n1
• InChI: InChI=1S/C34H35N7O2/c1-40-16-13-22(14-17-40)18-26-4-3-15-35-30(26)24-7-5-23(6-8-24)20-41-28(42)12-11-27-19-36-32(39-33(27)41)29-31(25-9-10-25)37-21-38-34(29)43-2/h3-8,11-12,15,19,21-22,25H,9-10,13-14,16-18,20H2,1-2H3
• InChIKey: IZSAZXPAIQGORZ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 98.92 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 171056949) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4ncccc4CC4CCN(C)CC4)cc3)c2n1.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IZSAZXPAIQGORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O2/c1-40-16-13-22(14-17-40)18-26-4-3-15-35-30(26)24-7-5-23(6-8-24)20-41-28(42)12-11-27-19-36-32(39-33(27)41)29-31(25-9-10-25)37-21-38-34(29)43-2/h3-8,11-12,15,19,21-22,25H,9-10,13-14,16-18,20H2,1-2H3.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 573.70 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 171056949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).