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

C39H42N10 — CID 11549174

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

N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine (PubChem CID 11549174) has the molecular formula C39H42N10 and a molecular weight of 650.84 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine
• PubChem CID: 11549174
• Molecular Formula: C39H42N10
• Molecular Weight: 650.84 g/mol
• Exact Mass: 650.36
• IUPAC Name: N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine
• SMILES: CN(C)C1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1
• InChI: InChI=1S/C39H42N10/c1-47(2)32-17-22-49(23-18-32)39-41-25-31-24-33(28-8-4-3-5-9-28)35(42-36(31)44-39)29-13-11-27(12-14-29)26-48-20-15-30(16-21-48)37-43-38(46-45-37)34-10-6-7-19-40-34/h3-14,19,24-25,30,32H,15-18,20-23,26H2,1-2H3,(H,43,45,46)
• InChIKey: VGPHGBKROHTXGE-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 102.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.84
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine (CID 11549174) is N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine.

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

The canonical SMILES for N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine is CN(C)C1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1.

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

The InChIKey is VGPHGBKROHTXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N10/c1-47(2)32-17-22-49(23-18-32)39-41-25-31-24-33(28-8-4-3-5-9-28)35(42-36(31)44-39)29-13-11-27(12-14-29)26-48-20-15-30(16-21-48)37-43-38(46-45-37)34-10-6-7-19-40-34/h3-14,19,24-25,30,32H,15-18,20-23,26H2,1-2H3,(H,43,45,46).

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

N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 650.84 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 11549174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).