4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine

C25H25F3N6O — CID 175360017

IUPAC4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)n2ccc(-c3c(OC)ncnc3C3CC3)n2)cc1
InChIInChI=1S/C25H25F3N6O/c1-4-33-13-20(25(26,27)28)31-23(33)18-9-5-16(6-10-18)15(2)34-12-11-19(32-34)21-22(17-7-8-17)29-14-30-24(21)35-3/h5-6,9-15,17H,4,7-8H2,1-3H3/t15-/m1/s1
InChIKeyGPURQTFCWFNWME-OAHLLOKOSA-N
MW482.51 g/mol
LogP5.74
Rot. Bonds7

About 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine

4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine (PubChem CID 175360017) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine
PubChem CID175360017
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)n2ccc(-c3c(OC)ncnc3C3CC3)n2)cc1
InChIInChI=1S/C25H25F3N6O/c1-4-33-13-20(25(26,27)28)31-23(33)18-9-5-16(6-10-18)15(2)34-12-11-19(32-34)21-22(17-7-8-17)29-14-30-24(21)35-3/h5-6,9-15,17H,4,7-8H2,1-3H3/t15-/m1/s1
InChIKeyGPURQTFCWFNWME-OAHLLOKOSA-N
XLogP5.74
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-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

6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-3-methoxypyrazolo[3,4-d]pyrimidine
CID 151347313
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841783
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 162378866
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-(difluoromethoxy)pyrimidin-5-yl]-4-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378545
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine
CID 178172118
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine
CID 172586088
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrimido[4,5-b]indole
CID 170973166
(4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 162378265
3-[4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1H-triazet-2-yl]-N-[1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]propanamide
CID 162378435
5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-methyl-N-[1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 176901093
(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine
CID 165135333

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine?
The IUPAC name of 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine (CID 175360017) is 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine is CCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)n2ccc(-c3c(OC)ncnc3C3CC3)n2)cc1.
What is the InChIKey of 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine?
The InChIKey is GPURQTFCWFNWME-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-4-33-13-20(25(26,27)28)31-23(33)18-9-5-16(6-10-18)15(2)34-12-11-19(32-34)21-22(17-7-8-17)29-14-30-24(21)35-3/h5-6,9-15,17H,4,7-8H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine?
4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine has a molecular weight of 482.51 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine is sourced from PubChem (CID 175360017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).