N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

C22H27N7O3 — CID 56920198

IUPACN-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc(OC)c1
InChIInChI=1S/C22H27N7O3/c1-15-16(2)29(14-25-15)21-12-20(23-13-24-21)27-5-7-28(8-6-27)22(30)26-17-9-18(31-3)11-19(10-17)32-4/h9-14H,5-8H2,1-4H3,(H,26,30)
InChIKeyDQWOJYRUAQVHIS-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.65
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 56920198) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID56920198
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC NameN-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc(OC)c1
InChIInChI=1S/C22H27N7O3/c1-15-16(2)29(14-25-15)21-12-20(23-13-24-21)27-5-7-28(8-6-27)22(30)26-17-9-18(31-3)11-19(10-17)32-4/h9-14H,5-8H2,1-4H3,(H,26,30)
InChIKeyDQWOJYRUAQVHIS-UHFFFAOYSA-N
XLogP2.65
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122345347
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 122345316
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122345433
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122345337
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 70703532
N-(3,5-dimethylphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010087
(4-bromophenyl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345630
(E)-1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 122345414
4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 122343655
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921466
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 56920198) is N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is DQWOJYRUAQVHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-15-16(2)29(14-25-15)21-12-20(23-13-24-21)27-5-7-28(8-6-27)22(30)26-17-9-18(31-3)11-19(10-17)32-4/h9-14H,5-8H2,1-4H3,(H,26,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 56920198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).