2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide

C34H41N7O4 — CID 69348364

IUPAC2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCN(c3cc(C(C)C)nc(-n4ccnc4)n3)C(CC(=O)NC(C)c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C34H41N7O4/c1-23(2)30-20-31(38-34(37-30)40-14-13-35-22-40)41-16-15-39(33(43)17-25-9-11-28(44-4)12-10-25)21-27(41)19-32(42)36-24(3)26-7-6-8-29(18-26)45-5/h6-14,18,20,22-24,27H,15-17,19,21H2,1-5H3,(H,36,42)
InChIKeyGJWSHXFGMCASAK-UHFFFAOYSA-N
MW611.75 g/mol
LogP4.33
Rot. Bonds11

About 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide

2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 69348364) has the molecular formula C34H41N7O4 and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
PubChem CID69348364
Molecular FormulaC34H41N7O4
Molecular Weight611.75 g/mol
Exact Mass611.32
IUPAC Name2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCN(c3cc(C(C)C)nc(-n4ccnc4)n3)C(CC(=O)NC(C)c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C34H41N7O4/c1-23(2)30-20-31(38-34(37-30)40-14-13-35-22-40)41-16-15-39(33(43)17-25-9-11-28(44-4)12-10-25)21-27(41)19-32(42)36-24(3)26-7-6-8-29(18-26)45-5/h6-14,18,20,22-24,27H,15-17,19,21H2,1-5H3,(H,36,42)
InChIKeyGJWSHXFGMCASAK-UHFFFAOYSA-N
XLogP4.33
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide (CID 69348364) is 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide is COc1ccc(CC(=O)N2CCN(c3cc(C(C)C)nc(-n4ccnc4)n3)C(CC(=O)NC(C)c3cccc(OC)c3)C2)cc1.
What is the InChIKey of 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is GJWSHXFGMCASAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O4/c1-23(2)30-20-31(38-34(37-30)40-14-13-35-22-40)41-16-15-39(33(43)17-25-9-11-28(44-4)12-10-25)21-27(41)19-32(42)36-24(3)26-7-6-8-29(18-26)45-5/h6-14,18,20,22-24,27H,15-17,19,21H2,1-5H3,(H,36,42).
What are the key properties of 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 611.75 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 69348364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).