4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine

C26H31F2N5O2 — CID 126763938

IUPAC4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine
SMILESFC(F)Oc1cccc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)ccnc32)c1
InChIInChI=1S/C26H31F2N5O2/c27-26(28)35-21-6-2-5-20(17-21)33-25-23(24(30-33)18-3-1-4-18)22(7-10-29-25)32-11-8-19(9-12-32)31-13-15-34-16-14-31/h2,5-7,10,17-19,26H,1,3-4,8-9,11-16H2
InChIKeyDBKIJWUMMUUAGY-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.59
Rot. Bonds6

About 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine

4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine (PubChem CID 126763938) has the molecular formula C26H31F2N5O2 and a molecular weight of 483.56 g/mol. Its IUPAC name is 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine
PubChem CID126763938
Molecular FormulaC26H31F2N5O2
Molecular Weight483.56 g/mol
Exact Mass483.24
IUPAC Name4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine
SMILESFC(F)Oc1cccc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)ccnc32)c1
InChIInChI=1S/C26H31F2N5O2/c27-26(28)35-21-6-2-5-20(17-21)33-25-23(24(30-33)18-3-1-4-18)22(7-10-29-25)32-11-8-19(9-12-32)31-13-15-34-16-14-31/h2,5-7,10,17-19,26H,1,3-4,8-9,11-16H2
InChIKeyDBKIJWUMMUUAGY-UHFFFAOYSA-N
XLogP4.59
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclobutyl-1-(3-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742047
3-cyclobutyl-1-[2-(difluoromethoxy)-4-pyridinyl]-N-(dimethylsulfamoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741935
3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde
CID 145290437
ethane;ethyl 3-cyclobutyl-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 145290255
3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 175084000
ethyl 3-cyclobutyl-1-(2-methoxy-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743604
3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743622
3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742471
3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743512
[3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone
CID 126742897
1-[3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-morpholin-4-ylsulfonylethanone
CID 158361845
3-cyclobutyl-N-ethylsulfanyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 155030055

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine (CID 126763938) is 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine is FC(F)Oc1cccc(-n2nc(C3CCC3)c3c(N4CCC(N5CCOCC5)CC4)ccnc32)c1.
What is the InChIKey of 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine?
The InChIKey is DBKIJWUMMUUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O2/c27-26(28)35-21-6-2-5-20(17-21)33-25-23(24(30-33)18-3-1-4-18)22(7-10-29-25)32-11-8-19(9-12-32)31-13-15-34-16-14-31/h2,5-7,10,17-19,26H,1,3-4,8-9,11-16H2.
What are the key properties of 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine?
4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine has a molecular weight of 483.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-cyclobutyl-1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 126763938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).