6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

C18H17F3N6O3 — CID 169005991

IUPAC6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESCC(C)(O)COc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H17F3N6O3/c1-17(2,29)9-30-14-8-12(25-16(26-14)27-6-5-22-10-27)15(28)24-11-3-4-23-13(7-11)18(19,20)21/h3-8,10,29H,9H2,1-2H3,(H,23,24,28)
InChIKeyQVNBXKSCIMMHLY-UHFFFAOYSA-N
MW422.37 g/mol
LogP2.48
Rot. Bonds6

About 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 169005991) has the molecular formula C18H17F3N6O3 and a molecular weight of 422.37 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
PubChem CID169005991
Molecular FormulaC18H17F3N6O3
Molecular Weight422.37 g/mol
Exact Mass422.13
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESCC(C)(O)COc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H17F3N6O3/c1-17(2,29)9-30-14-8-12(25-16(26-14)27-6-5-22-10-27)15(28)24-11-3-4-23-13(7-11)18(19,20)21/h3-8,10,29H,9H2,1-2H3,(H,23,24,28)
InChIKeyQVNBXKSCIMMHLY-UHFFFAOYSA-N
XLogP2.48
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005996
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999
6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005985
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 166208133
tert-butyl 4-[3-fluoro-5-[[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]phenyl]piperazine-1-carboxylate
CID 170774214
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 171566330
2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169006005
N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774185
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166481353
6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
CID 170774245

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (CID 169005991) is 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is CC(C)(O)COc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is QVNBXKSCIMMHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O3/c1-17(2,29)9-30-14-8-12(25-16(26-14)27-6-5-22-10-27)15(28)24-11-3-4-23-13(7-11)18(19,20)21/h3-8,10,29H,9H2,1-2H3,(H,23,24,28).
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 422.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 169005991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).