6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine

C33H30N8 — CID 11526695

About 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine

6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11526695) has the molecular formula C33H30N8 and a molecular weight of 538.66 g/mol. Its IUPAC name is 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 11526695
• Molecular Formula: C33H30N8
• Molecular Weight: 538.66 g/mol
• Exact Mass: 538.26
• IUPAC Name: 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
• SMILES: Nc1ncnc2nc(-c3ccc(CN4CCC(c5cc(-c6ccncc6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc12
• InChI: InChI=1S/C33H30N8/c34-32-28-18-27(23-4-2-1-3-5-23)31(38-33(28)37-21-36-32)26-8-6-22(7-9-26)20-41-16-12-25(13-17-41)30-19-29(39-40-30)24-10-14-35-15-11-24/h1-11,14-15,18-19,21,25H,12-13,16-17,20H2,(H,39,40)(H2,34,36,37,38)
• InChIKey: AOWZAMGXVRSMQI-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 109.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.66
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 11526695) is 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(CN4CCC(c5cc(-c6ccncc6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc12.

What is the InChIKey of 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is AOWZAMGXVRSMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N8/c34-32-28-18-27(23-4-2-1-3-5-23)31(38-33(28)37-21-36-32)26-8-6-22(7-9-26)20-41-16-12-25(13-17-41)30-19-29(39-40-30)24-10-14-35-15-11-24/h1-11,14-15,18-19,21,25H,12-13,16-17,20H2,(H,39,40)(H2,34,36,37,38).

What are the key properties of 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine?

6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 538.66 g/mol, XLogP of 6.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-7-[4-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11526695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).