2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

C19H17F3N6O3 — CID 169006005

IUPAC2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESCn1ccnc1-c1nc(OC2(C)COC2)cc(C(=O)Nc2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H17F3N6O3/c1-18(9-30-10-18)31-14-8-12(26-15(27-14)16-24-5-6-28(16)2)17(29)25-11-3-4-23-13(7-11)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,25,29)
InChIKeyNSNVMHBXEMUJNH-UHFFFAOYSA-N
MW434.38 g/mol
LogP2.71
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 169006005) has the molecular formula C19H17F3N6O3 and a molecular weight of 434.38 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
PubChem CID169006005
Molecular FormulaC19H17F3N6O3
Molecular Weight434.38 g/mol
Exact Mass434.13
IUPAC Name2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESCn1ccnc1-c1nc(OC2(C)COC2)cc(C(=O)Nc2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H17F3N6O3/c1-18(9-30-10-18)31-14-8-12(26-15(27-14)16-24-5-6-28(16)2)17(29)25-11-3-4-23-13(7-11)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,25,29)
InChIKeyNSNVMHBXEMUJNH-UHFFFAOYSA-N
XLogP2.71
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005985
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-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005991
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 118948654
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408534
1-[2-chloro-7-[methoxy(oxan-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 118540155
2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 166481504
4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 170429899
2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 123604699
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (CID 169006005) is 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is Cn1ccnc1-c1nc(OC2(C)COC2)cc(C(=O)Nc2ccnc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is NSNVMHBXEMUJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O3/c1-18(9-30-10-18)31-14-8-12(26-15(27-14)16-24-5-6-28(16)2)17(29)25-11-3-4-23-13(7-11)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,25,29).
What are the key properties of 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 434.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 169006005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).