2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

C24H30ClN7O3 — CID 87794135

IUPAC2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CC2CN(C)CCN2c2cc(Cl)nc(-n3ccnc3)n2)cc1OC
InChIInChI=1S/C24H30ClN7O3/c1-16(17-5-6-19(34-3)20(11-17)35-4)27-23(33)12-18-14-30(2)9-10-32(18)22-13-21(25)28-24(29-22)31-8-7-26-15-31/h5-8,11,13,15-16,18H,9-10,12,14H2,1-4H3,(H,27,33)
InChIKeyCKBCRJFRQDSDCZ-UHFFFAOYSA-N
MW500.00 g/mol
LogP2.72
Rot. Bonds8

About 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 87794135) has the molecular formula C24H30ClN7O3 and a molecular weight of 500.00 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID87794135
Molecular FormulaC24H30ClN7O3
Molecular Weight500.00 g/mol
Exact Mass499.21
IUPAC Name2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CC2CN(C)CCN2c2cc(Cl)nc(-n3ccnc3)n2)cc1OC
InChIInChI=1S/C24H30ClN7O3/c1-16(17-5-6-19(34-3)20(11-17)35-4)27-23(33)12-18-14-30(2)9-10-32(18)22-13-21(25)28-24(29-22)31-8-7-26-15-31/h5-8,11,13,15-16,18H,9-10,12,14H2,1-4H3,(H,27,33)
InChIKeyCKBCRJFRQDSDCZ-UHFFFAOYSA-N
XLogP2.72
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-methylpiperazin-2-yl]acetamide
CID 69347520
methyl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-3-[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 87794395
3-[2-[1-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 69348292
2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 87794603
2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(2-methoxyacetyl)piperazin-2-yl]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 87794035
4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-3-[2-[3-(3,4-dimethoxyphenyl)propylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide
CID 54230411
2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-(dimethylsulfamoyl)piperazin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 54038250
4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 54397668
4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperazine-1-carboxamide
CID 69348008
N-(benzenesulfonyl)-3-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 18459824
2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 69349281
4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)-3-[2-[1-(4-methylphenoxy)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 87794429

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 87794135) is 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)CC2CN(C)CCN2c2cc(Cl)nc(-n3ccnc3)n2)cc1OC.
What is the InChIKey of 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is CKBCRJFRQDSDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN7O3/c1-16(17-5-6-19(34-3)20(11-17)35-4)27-23(33)12-18-14-30(2)9-10-32(18)22-13-21(25)28-24(29-22)31-8-7-26-15-31/h5-8,11,13,15-16,18H,9-10,12,14H2,1-4H3,(H,27,33).
What are the key properties of 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 500.00 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 87794135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).