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

C28H30F3N7O — CID 162378866

IUPAC2-(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
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(CC2c3cc(-c4c(OC)ncnc4C4CC4)nn3CCN2C)cc1
InChIInChI=1S/C28H30F3N7O/c1-4-37-15-23(28(29,30)31)34-26(37)19-7-5-17(6-8-19)13-21-22-14-20(35-38(22)12-11-36(21)2)24-25(18-9-10-18)32-16-33-27(24)39-3/h5-8,14-16,18,21H,4,9-13H2,1-3H3
InChIKeyPFIRSTVCFXXOAR-UHFFFAOYSA-N
MW537.59 g/mol
LogP5.36
Rot. Bonds7

About 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

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 (PubChem CID 162378866) has the molecular formula C28H30F3N7O and a molecular weight of 537.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID162378866
Molecular FormulaC28H30F3N7O
Molecular Weight537.59 g/mol
Exact Mass537.25
IUPAC Name2-(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
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(CC2c3cc(-c4c(OC)ncnc4C4CC4)nn3CCN2C)cc1
InChIInChI=1S/C28H30F3N7O/c1-4-37-15-23(28(29,30)31)34-26(37)19-7-5-17(6-8-19)13-21-22-14-20(35-38(22)12-11-36(21)2)24-25(18-9-10-18)32-16-33-27(24)39-3/h5-8,14-16,18,21H,4,9-13H2,1-3H3
InChIKeyPFIRSTVCFXXOAR-UHFFFAOYSA-N
XLogP5.36
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.59
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine
CID 175360017
(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
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)-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
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
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
ethyl (E)-3-[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]-3-pyridinyl]prop-2-enoate
CID 175950634
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378251
4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
CID 172585633
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)-N,7-dimethyl-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 176758493
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-3-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-one
CID 172585586

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cc(C(F)(F)F)nc1-c1ccc(CC2c3cc(-c4c(OC)ncnc4C4CC4)nn3CCN2C)cc1.
What is the InChIKey of 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?
The InChIKey is PFIRSTVCFXXOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N7O/c1-4-37-15-23(28(29,30)31)34-26(37)19-7-5-17(6-8-19)13-21-22-14-20(35-38(22)12-11-36(21)2)24-25(18-9-10-18)32-16-33-27(24)39-3/h5-8,14-16,18,21H,4,9-13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 537.59 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162378866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).