2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

C21H27N7O3 — CID 156885798

IUPAC2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-n3ccnc3)n2)CC1
InChIInChI=1S/C21H27N7O3/c1-27-13-15(12-23-27)18-11-19(26-21(25-18)28-8-7-22-14-28)20(29)24-16-3-5-17(6-4-16)31-10-9-30-2/h7-8,11-14,16-17H,3-6,9-10H2,1-2H3,(H,24,29)
InChIKeyFQJKHXKESKWNQK-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.77
Rot. Bonds8

About 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 156885798) has the molecular formula C21H27N7O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
PubChem CID156885798
Molecular FormulaC21H27N7O3
Molecular Weight425.49 g/mol
Exact Mass425.22
IUPAC Name2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-n3ccnc3)n2)CC1
InChIInChI=1S/C21H27N7O3/c1-27-13-15(12-23-27)18-11-19(26-21(25-18)28-8-7-22-14-28)20(29)24-16-3-5-17(6-4-16)31-10-9-30-2/h7-8,11-14,16-17H,3-6,9-10H2,1-2H3,(H,24,29)
InChIKeyFQJKHXKESKWNQK-UHFFFAOYSA-N
XLogP1.77
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclopentyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288554
4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288555
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 71288581
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 139447960
4-N-(2-fluoroethyl)-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
CID 165414915
2-methyl-N-[(2S)-1-[4-(3-methylimidazol-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide
CID 153616507
N-[(2S)-1-[4-(3,5-dimethylimidazol-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 153616608
4,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-2-carboxamide
CID 156885878
N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
CID 156885909
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 156885939
1-methyl-4-(morpholine-4-carbonyl)-N-[1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]pyrazole-5-carboxamide
CID 165415185
4-N-(2-methoxyethyl)-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
CID 165414885

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (CID 156885798) is 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is COCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-n3ccnc3)n2)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is FQJKHXKESKWNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3/c1-27-13-15(12-23-27)18-11-19(26-21(25-18)28-8-7-22-14-28)20(29)24-16-3-5-17(6-4-16)31-10-9-30-2/h7-8,11-14,16-17H,3-6,9-10H2,1-2H3,(H,24,29).
What are the key properties of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 156885798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).