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

C23H18ClF4N7O2 — CID 172585560

IUPAC5-[4-[[6-[5-chloro-1-methyl-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)n3C)c(F)c2)n1
InChIInChI=1S/C23H18ClF4N7O2/c1-35-19(24)18(23(26,27)28)34-21(35)17-13(25)7-11(8-30-17)9-37-14-5-6-29-20(33-14)15-16(12-3-4-12)31-10-32-22(15)36-2/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyGKSUZXWDPVCJGT-UHFFFAOYSA-N
MW535.89 g/mol
LogP5.01
Rot. Bonds7

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

5-[4-[[6-[5-chloro-1-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine (PubChem CID 172585560) has the molecular formula C23H18ClF4N7O2 and a molecular weight of 535.89 g/mol. Its IUPAC name is 5-[4-[[6-[5-chloro-1-methyl-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-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine
PubChem CID172585560
Molecular FormulaC23H18ClF4N7O2
Molecular Weight535.89 g/mol
Exact Mass535.11
IUPAC Name5-[4-[[6-[5-chloro-1-methyl-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)n3C)c(F)c2)n1
InChIInChI=1S/C23H18ClF4N7O2/c1-35-19(24)18(23(26,27)28)34-21(35)17-13(25)7-11(8-30-17)9-37-14-5-6-29-20(33-14)15-16(12-3-4-12)31-10-32-22(15)36-2/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyGKSUZXWDPVCJGT-UHFFFAOYSA-N
XLogP5.01
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.89
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(trideuteriomethoxy)pyrimidin-5-yl]-4-[[6-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]-5-methoxypyrimidine
CID 172585613
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[5-fluoro-6-(3-methylpent-2-en-2-yl)-3-pyridinyl]methoxy]-5-methoxypyrimidine
CID 172585474
(Z)-N-[(Z)-3-cyclopropyl-2-[4-[[6-[5-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-1-methoxybut-1-enyl]ethanimine;ethane
CID 172585625
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
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
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethoxy)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586423
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[6-[5-chloro-1-methyl-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-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine (CID 172585560) is 5-[4-[[6-[5-chloro-1-methyl-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-methyl-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-methyl-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)n3C)c(F)c2)n1.
What is the InChIKey of 5-[4-[[6-[5-chloro-1-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine?
The InChIKey is GKSUZXWDPVCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF4N7O2/c1-35-19(24)18(23(26,27)28)34-21(35)17-13(25)7-11(8-30-17)9-37-14-5-6-29-20(33-14)15-16(12-3-4-12)31-10-32-22(15)36-2/h5-8,10,12H,3-4,9H2,1-2H3.
What are the key properties of 5-[4-[[6-[5-chloro-1-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine?
5-[4-[[6-[5-chloro-1-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine has a molecular weight of 535.89 g/mol, XLogP of 5.01, 7 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-methyl-4-(trifluoromethyl)imidazol-2-yl]-5-fluoro-3-pyridinyl]methoxy]pyrimidin-2-yl]-4-cyclopropyl-6-methoxypyrimidine is sourced from PubChem (CID 172585560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).