4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one

C24H28N10O — CID 163201218

About 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one

4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 163201218) has the molecular formula C24H28N10O and a molecular weight of 472.56 g/mol. Its IUPAC name is 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 163201218
• Molecular Formula: C24H28N10O
• Molecular Weight: 472.56 g/mol
• Exact Mass: 472.24
• IUPAC Name: 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one
• SMILES: CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(-c5cncnc5)ccc4n3)cn2)CC1
• InChI: InChI=1S/C24H28N10O/c1-24(6-7-24)31-21-20-19(5-10-33(22(20)35)18-12-25-15-26-13-18)29-23(30-21)28-16-11-27-34(14-16)17-3-8-32(2)9-4-17/h5,10-15,17H,3-4,6-9H2,1-2H3,(H2,28,29,30,31)
• InChIKey: DDQTUBYTBBXGML-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 118.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.56
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one?

The IUPAC name of 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one (CID 163201218) is 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one?

The canonical SMILES for 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one is CN1CCC(n2cc(Nc3nc(NC4(C)CC4)c4c(=O)n(-c5cncnc5)ccc4n3)cn2)CC1.

What is the InChIKey of 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one?

The InChIKey is DDQTUBYTBBXGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N10O/c1-24(6-7-24)31-21-20-19(5-10-33(22(20)35)18-12-25-15-26-13-18)29-23(30-21)28-16-11-27-34(14-16)17-3-8-32(2)9-4-17/h5,10-15,17H,3-4,6-9H2,1-2H3,(H2,28,29,30,31).

What are the key properties of 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one?

4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 472.56 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 163201218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).