4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol

C22H24F2N4O — CID 155263886

IUPAC4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol
SMILESCc1cc(-c2cn(C)nc2C)nc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C22H24F2N4O/c1-14-10-20(17-13-27(3)26-15(17)2)25-21(11-14)28-8-6-22(29,7-9-28)16-4-5-18(23)19(24)12-16/h4-5,10-13,29H,6-9H2,1-3H3
InChIKeyQTHKGTULMJGZCX-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.87
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol

4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol (PubChem CID 155263886) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol
PubChem CID155263886
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol
SMILESCc1cc(-c2cn(C)nc2C)nc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C22H24F2N4O/c1-14-10-20(17-13-27(3)26-15(17)2)25-21(11-14)28-8-6-22(29,7-9-28)16-4-5-18(23)19(24)12-16/h4-5,10-13,29H,6-9H2,1-3H3
InChIKeyQTHKGTULMJGZCX-UHFFFAOYSA-N
XLogP3.87
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-difluorophenyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 155263844
(2R,4S)-4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperidin-4-ol
CID 155263922
[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid
CID 166758968
1-[6-[(E)-3-amino-1-methyliminobut-2-en-2-yl]-2-pyridinyl]-4-(3,4-difluorophenyl)piperidin-4-ol
CID 155717518
1-[2-[(E)-3-amino-1-methyliminobut-2-en-2-yl]pyrimidin-4-yl]-4-(3,4-difluorophenyl)piperidin-4-ol
CID 155717505
4-(3,4-difluorophenyl)-1-propylazepan-4-ol
CID 65077615
4-(1,3-dimethylpyrazol-4-yl)-6-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
CID 175165632
3-(3,4-difluorophenyl)-1-ethylpyrrolidin-3-ol
CID 25143662
4-(4-fluorophenyl)-1-[6-(4-methylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-ol
CID 155263942
4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride
CID 129319882
1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65086098
3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol (CID 155263886) is 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol is Cc1cc(-c2cn(C)nc2C)nc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol?
The InChIKey is QTHKGTULMJGZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-14-10-20(17-13-27(3)26-15(17)2)25-21(11-14)28-8-6-22(29,7-9-28)16-4-5-18(23)19(24)12-16/h4-5,10-13,29H,6-9H2,1-3H3.
What are the key properties of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol?
4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol has a molecular weight of 398.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 155263886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).