5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine

C25H20ClF4N7O2 — CID 172586619

IUPAC5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nccc(OCc2cnc(-c3nc(C(F)(F)F)c(Cl)n3C3CC3)c(F)c2)n1
InChIInChI=1S/C25H20ClF4N7O2/c1-38-24-17(18(13-2-3-13)33-11-34-24)22-31-7-6-16(35-22)39-10-12-8-15(27)19(32-9-12)23-36-20(25(28,29)30)21(26)37(23)14-4-5-14/h6-9,11,13-14H,2-5,10H2,1H3
InChIKeyHSQDPCSKNICEBY-UHFFFAOYSA-N
MW561.93 g/mol
LogP5.80
Rot. Bonds8

About 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine

5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine (PubChem CID 172586619) has the molecular formula C25H20ClF4N7O2 and a molecular weight of 561.93 g/mol. Its IUPAC name is 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine.

Molecular Properties

Compound Name5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine
PubChem CID172586619
Molecular FormulaC25H20ClF4N7O2
Molecular Weight561.93 g/mol
Exact Mass561.13
IUPAC Name5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1nccc(OCc2cnc(-c3nc(C(F)(F)F)c(Cl)n3C3CC3)c(F)c2)n1
InChIInChI=1S/C25H20ClF4N7O2/c1-38-24-17(18(13-2-3-13)33-11-34-24)22-31-7-6-16(35-22)39-10-12-8-15(27)19(32-9-12)23-36-20(25(28,29)30)21(26)37(23)14-4-5-14/h6-9,11,13-14H,2-5,10H2,1H3
InChIKeyHSQDPCSKNICEBY-UHFFFAOYSA-N
XLogP5.80
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.93
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine with MolForge

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Related Compounds

5-[4-[[6-[5-chloro-1-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine
CID 172585560
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
4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
CID 172585633
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)-4-[[5-fluoro-6-(3-methylpent-2-en-2-yl)-3-pyridinyl]methoxy]-5-methoxypyrimidine
CID 172585474
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
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172586381
1-[[4-[5-bromo-1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidine
CID 147978650
6-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 170707664
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 171760225
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-methoxypyrimidin-5-yl)-4-methylsulfonyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172585590

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine?
The IUPAC name of 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine (CID 172586619) is 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine.
What is the SMILES notation for 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine?
The canonical SMILES for 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine is COc1ncnc(C2CC2)c1-c1nccc(OCc2cnc(-c3nc(C(F)(F)F)c(Cl)n3C3CC3)c(F)c2)n1.
What is the InChIKey of 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine?
The InChIKey is HSQDPCSKNICEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF4N7O2/c1-38-24-17(18(13-2-3-13)33-11-34-24)22-31-7-6-16(35-22)39-10-12-8-15(27)19(32-9-12)23-36-20(25(28,29)30)21(26)37(23)14-4-5-14/h6-9,11,13-14H,2-5,10H2,1H3.
What are the key properties of 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine?
5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine has a molecular weight of 561.93 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[6-[5-chloro-1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine is sourced from PubChem (CID 172586619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).