6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

C20H25F2N5O — CID 178013217

IUPAC6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCC4(CC(OCC56CC(C5)C6)C4)C3)nc21
InChIInChI=1S/C20H25F2N5O/c21-16(22)10-27-18-15(8-24-27)23-9-17(25-18)26-2-1-19(11-26)6-14(7-19)28-12-20-3-13(4-20)5-20/h8-9,13-14,16H,1-7,10-12H2
InChIKeyOSPQPNPLTUISQT-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.27
Rot. Bonds6

About 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 178013217) has the molecular formula C20H25F2N5O and a molecular weight of 389.45 g/mol. Its IUPAC name is 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
PubChem CID178013217
Molecular FormulaC20H25F2N5O
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCC4(CC(OCC56CC(C5)C6)C4)C3)nc21
InChIInChI=1S/C20H25F2N5O/c21-16(22)10-27-18-15(8-24-27)23-9-17(25-18)26-2-1-19(11-26)6-14(7-19)28-12-20-3-13(4-20)5-20/h8-9,13-14,16H,1-7,10-12H2
InChIKeyOSPQPNPLTUISQT-UHFFFAOYSA-N
XLogP3.27
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine with MolForge

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Related Compounds

5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
CID 178072549
1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104422
1-(2,2-difluoroethyl)-6-[3-fluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104474
N-[[(3R,5R)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methyl]bicyclo[1.1.1]pentan-1-amine
CID 166104555
1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105132
1-(2,2-difluoroethyl)-6-[4-[1-[2-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104302
1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105168
[(3R,6S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-methylpiperidin-3-yl]methanol
CID 166105167
1-(2,2-difluoroethyl)-6-[(3R)-3-[(1R)-1-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104243
1-(2,2-difluoroethyl)-6-[7-[2-(trifluoromethyl)-4-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 178013228
1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752072
1-(2,2-difluoroethyl)-6-[(2R,5R)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104663

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (CID 178013217) is 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is FC(F)Cn1ncc2ncc(N3CCC4(CC(OCC56CC(C5)C6)C4)C3)nc21.
What is the InChIKey of 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is OSPQPNPLTUISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O/c21-16(22)10-27-18-15(8-24-27)23-9-17(25-18)26-2-1-19(11-26)6-14(7-19)28-12-20-3-13(4-20)5-20/h8-9,13-14,16H,1-7,10-12H2.
What are the key properties of 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 389.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 178013217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).