4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride

C20H20ClF2N7 — CID 90169652

IUPAC4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
SMILESCl.Cn1cc(-c2ccc(F)c(F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C20H19F2N7.ClH/c1-28-10-17(13-2-3-15(21)16(22)8-13)26-19(28)12-4-6-29(7-5-12)20-14-9-25-27-18(14)23-11-24-20;/h2-3,8-12H,4-7H2,1H3,(H,23,24,25,27);1H
InChIKeyXWYLJRCRFZMODY-UHFFFAOYSA-N
MW431.88 g/mol
LogP3.84
Rot. Bonds3

About 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride

4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride (PubChem CID 90169652) has the molecular formula C20H20ClF2N7 and a molecular weight of 431.88 g/mol. Its IUPAC name is 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
PubChem CID90169652
Molecular FormulaC20H20ClF2N7
Molecular Weight431.88 g/mol
Exact Mass431.14
IUPAC Name4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
SMILESCl.Cn1cc(-c2ccc(F)c(F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C20H19F2N7.ClH/c1-28-10-17(13-2-3-15(21)16(22)8-13)26-19(28)12-4-6-29(7-5-12)20-14-9-25-27-18(14)23-11-24-20;/h2-3,8-12H,4-7H2,1H3,(H,23,24,25,27);1H
InChIKeyXWYLJRCRFZMODY-UHFFFAOYSA-N
XLogP3.84
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 53.84
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
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
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyridin-4-ylpyrimidin-4-amine
CID 89445387
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
[4-[4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanamine
CID 150319524
5-cyclobutyl-6-[4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450384
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-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155799152
4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
CID 90169604
3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299375
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride?
The IUPAC name of 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride (CID 90169652) is 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride is Cl.Cn1cc(-c2ccc(F)c(F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride?
The InChIKey is XWYLJRCRFZMODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7.ClH/c1-28-10-17(13-2-3-15(21)16(22)8-13)26-19(28)12-4-6-29(7-5-12)20-14-9-25-27-18(14)23-11-24-20;/h2-3,8-12H,4-7H2,1H3,(H,23,24,25,27);1H.
What are the key properties of 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride?
4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride has a molecular weight of 431.88 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,4-difluorophenyl)-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 90169652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).