N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide

C32H39Cl2N7O2 — CID 146251743

About N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 146251743) has the molecular formula C32H39Cl2N7O2 and a molecular weight of 624.62 g/mol. Its IUPAC name is N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
• PubChem CID: 146251743
• Molecular Formula: C32H39Cl2N7O2
• Molecular Weight: 624.62 g/mol
• Exact Mass: 623.25
• IUPAC Name: N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CCN(Cc2cc(Oc3cnc(N4CC5CCCC4CN5C)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1
• InChI: InChI=1S/C32H39Cl2N7O2/c1-21(42)35-15-22-6-8-40(9-7-22)18-23-10-30(24-12-25(33)14-26(34)13-24)38-31(11-23)43-29-16-36-32(37-17-29)41-20-27-4-3-5-28(41)19-39(27)2/h10-14,16-17,22,27-28H,3-9,15,18-20H2,1-2H3,(H,35,42)
• InChIKey: FABSHONTBBTRPV-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 86.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.62
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?

The IUPAC name of N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide (CID 146251743) is N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide.

What is the SMILES notation for N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?

The canonical SMILES for N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cc(Oc3cnc(N4CC5CCCC4CN5C)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1.

What is the InChIKey of N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?

The InChIKey is FABSHONTBBTRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39Cl2N7O2/c1-21(42)35-15-22-6-8-40(9-7-22)18-23-10-30(24-12-25(33)14-26(34)13-24)38-31(11-23)43-29-16-36-32(37-17-29)41-20-27-4-3-5-28(41)19-39(27)2/h10-14,16-17,22,27-28H,3-9,15,18-20H2,1-2H3,(H,35,42).

What are the key properties of N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?

N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 624.62 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[[2-(3,5-dichlorophenyl)-6-[2-(8-methyl-6,8-diazabicyclo[3.2.2]nonan-6-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 146251743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).