3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine

C24H23F4N7 — CID 90169588

IUPAC3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3n[nH]c(C4CC4)c23)CC1
InChIInChI=1S/C24H23F4N7/c1-34-11-18(15-4-5-17(25)16(10-15)24(26,27)28)31-22(34)14-6-8-35(9-7-14)23-19-20(13-2-3-13)32-33-21(19)29-12-30-23/h4-5,10-14H,2-3,6-9H2,1H3,(H,29,30,32,33)
InChIKeyZXICHRNMNCKMRP-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.17
Rot. Bonds4

About 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine

3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 90169588) has the molecular formula C24H23F4N7 and a molecular weight of 485.49 g/mol. Its IUPAC name is 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID90169588
Molecular FormulaC24H23F4N7
Molecular Weight485.49 g/mol
Exact Mass485.20
IUPAC Name3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3n[nH]c(C4CC4)c23)CC1
InChIInChI=1S/C24H23F4N7/c1-34-11-18(15-4-5-17(25)16(10-15)24(26,27)28)31-22(34)14-6-8-35(9-7-14)23-19-20(13-2-3-13)32-33-21(19)29-12-30-23/h4-5,10-14H,2-3,6-9H2,1H3,(H,29,30,32,33)
InChIKeyZXICHRNMNCKMRP-UHFFFAOYSA-N
XLogP5.17
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidin-4-amine
CID 89442709
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine
CID 89445387
[4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine
CID 150319524
5-(6-chloro-3-pyridinyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255645
methyl (E)-3-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]prop-2-enoate
CID 89445535
4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
CID 90169652
4-amino-6-[4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbaldehyde
CID 89442719
4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 74766899
5-benzylidene-4-[4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-6,7-dihydropyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 175271426
4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 59322372
5-(4-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-piperidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450703
4-amino-6-[4-[1-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 142772782

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine (CID 90169588) is 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine is Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3n[nH]c(C4CC4)c23)CC1.
What is the InChIKey of 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is ZXICHRNMNCKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7/c1-34-11-18(15-4-5-17(25)16(10-15)24(26,27)28)31-22(34)14-6-8-35(9-7-14)23-19-20(13-2-3-13)32-33-21(19)29-12-30-23/h4-5,10-14H,2-3,6-9H2,1H3,(H,29,30,32,33).
What are the key properties of 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine?
3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 485.49 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 90169588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).