7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine

C30H28N10 — CID 11556452

About 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine

7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11556452) has the molecular formula C30H28N10 and a molecular weight of 528.62 g/mol. Its IUPAC name is 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 11556452
• Molecular Formula: C30H28N10
• Molecular Weight: 528.62 g/mol
• Exact Mass: 528.25
• IUPAC Name: 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
• SMILES: Nc1ncnc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12
• InChI: InChI=1S/C30H28N10/c31-27-24-14-23(20-4-2-1-3-5-20)26(38-29(24)35-17-33-27)21-8-6-19(7-9-21)16-39-12-10-22(11-13-39)40-30-25(15-37-40)28(32)34-18-36-30/h1-9,14-15,17-18,22H,10-13,16H2,(H2,32,34,36)(H2,31,33,35,38)
• InChIKey: CCUQHOVPLNKBBL-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 137.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.62
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine (CID 11556452) is 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12.

What is the InChIKey of 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is CCUQHOVPLNKBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N10/c31-27-24-14-23(20-4-2-1-3-5-20)26(38-29(24)35-17-33-27)21-8-6-19(7-9-21)16-39-12-10-22(11-13-39)40-30-25(15-37-40)28(32)34-18-36-30/h1-9,14-15,17-18,22H,10-13,16H2,(H2,32,34,36)(H2,31,33,35,38).

What are the key properties of 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?

7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 528.62 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11556452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).