6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine

C28H24F4N8O2 — CID 172584283

IUPAC6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C3CC3)c(F)c2)c2cn(C)nc2n1
InChIInChI=1S/C28H24F4N8O2/c1-39-10-18-23(38-39)36-24(21-22(15-4-5-15)33-13-34-27(21)41-2)37-26(18)42-12-14-3-8-17(19(29)9-14)25-35-20(28(30,31)32)11-40(25)16-6-7-16/h3,8-11,13,15-16H,4-7,12H2,1-2H3
InChIKeyMGKHWUQQFQNCEF-UHFFFAOYSA-N
MW580.55 g/mol
LogP5.64
Rot. Bonds8

About 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine

6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine (PubChem CID 172584283) has the molecular formula C28H24F4N8O2 and a molecular weight of 580.55 g/mol. Its IUPAC name is 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine
PubChem CID172584283
Molecular FormulaC28H24F4N8O2
Molecular Weight580.55 g/mol
Exact Mass580.20
IUPAC Name6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C3CC3)c(F)c2)c2cn(C)nc2n1
InChIInChI=1S/C28H24F4N8O2/c1-39-10-18-23(38-39)36-24(21-22(15-4-5-15)33-13-34-27(21)41-2)37-26(18)42-12-14-3-8-17(19(29)9-14)25-35-20(28(30,31)32)11-40(25)16-6-7-16/h3,8-11,13,15-16H,4-7,12H2,1-2H3
InChIKeyMGKHWUQQFQNCEF-UHFFFAOYSA-N
XLogP5.64
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine with MolForge

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Related Compounds

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrrolo[2,1-f][1,2,4]triazine
CID 172584012
2-[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine
CID 172585613
5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[6-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-2-methylpyrazolo[4,3-d]pyrimidine
CID 172584557
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydropteridine
CID 175998678
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 162378743
5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2H-pyrazolo[4,3-d]pyrimidine
CID 164881451
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172586381
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 171782558
CID 177004711
CID 177004711
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5,7-dimethyl-7H-pteridin-6-one
CID 165400903
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 170707566
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 172584079

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine (CID 172584283) is 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine is COc1ncnc(C2CC2)c1-c1nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C3CC3)c(F)c2)c2cn(C)nc2n1.
What is the InChIKey of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine?
The InChIKey is MGKHWUQQFQNCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N8O2/c1-39-10-18-23(38-39)36-24(21-22(15-4-5-15)33-13-34-27(21)41-2)37-26(18)42-12-14-3-8-17(19(29)9-14)25-35-20(28(30,31)32)11-40(25)16-6-7-16/h3,8-11,13,15-16H,4-7,12H2,1-2H3.
What are the key properties of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine?
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine has a molecular weight of 580.55 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methoxy]-2-methylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 172584283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).