N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide

C23H29N7O3 — CID 50947804

IUPACN-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c(OC)c1
InChIInChI=1S/C23H29N7O3/c1-15-12-16(2)30(27-15)22-14-21(24-17(3)25-22)28-8-10-29(11-9-28)23(31)26-19-7-6-18(32-4)13-20(19)33-5/h6-7,12-14H,8-11H2,1-5H3,(H,26,31)
InChIKeyFKVHZFXNDQBILY-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.96
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 50947804) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID50947804
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c(OC)c1
InChIInChI=1S/C23H29N7O3/c1-15-12-16(2)30(27-15)22-14-21(24-17(3)25-22)28-8-10-29(11-9-28)23(31)26-19-7-6-18(32-4)13-20(19)33-5/h6-7,12-14H,8-11H2,1-5H3,(H,26,31)
InChIKeyFKVHZFXNDQBILY-UHFFFAOYSA-N
XLogP2.96
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50948012
4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 121072462
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103898
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 16812679
N-(2,4-dimethoxyphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 90495545
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 71800266
N-(5-chloro-2,4-dimethoxyphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56699057
1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 122337970
N-(2,4-dimethoxyphenyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921278
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 56700336

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide (CID 50947804) is N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is FKVHZFXNDQBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-15-12-16(2)30(27-15)22-14-21(24-17(3)25-22)28-8-10-29(11-9-28)23(31)26-19-7-6-18(32-4)13-20(19)33-5/h6-7,12-14H,8-11H2,1-5H3,(H,26,31).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 50947804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).