6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine

C14H17F2N5 — CID 156846925

IUPAC6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESNc1nn(C2CCC(F)(F)CC2)c2nc(C3CC3)cnc12
InChIInChI=1S/C14H17F2N5/c15-14(16)5-3-9(4-6-14)21-13-11(12(17)20-21)18-7-10(19-13)8-1-2-8/h7-9H,1-6H2,(H2,17,20)
InChIKeyGMMCSNCYYIEQRX-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.04
Rot. Bonds2

About 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine

6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 156846925) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID156846925
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESNc1nn(C2CCC(F)(F)CC2)c2nc(C3CC3)cnc12
InChIInChI=1S/C14H17F2N5/c15-14(16)5-3-9(4-6-14)21-13-11(12(17)20-21)18-7-10(19-13)8-1-2-8/h7-9H,1-6H2,(H2,17,20)
InChIKeyGMMCSNCYYIEQRX-UHFFFAOYSA-N
XLogP3.04
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 118466927
CID 118466927
CID 118456717
CID 118456717
CID 118466918
CID 118466918
CID 118466948
CID 118466948
CID 118467059
CID 118467059
CID 118467063
CID 118467063
CID 121348261
CID 121348261
CID 130328777
CID 130328777
CID 130344110
CID 130344110
CID 166104045
CID 166104045
CID 166104086
CID 166104086
CID 166104290
CID 166104290

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine (CID 156846925) is 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine is Nc1nn(C2CCC(F)(F)CC2)c2nc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is GMMCSNCYYIEQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c15-14(16)5-3-9(4-6-14)21-13-11(12(17)20-21)18-7-10(19-13)8-1-2-8/h7-9H,1-6H2,(H2,17,20).
What are the key properties of 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine?
6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 293.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(4,4-difluorocyclohexyl)pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 156846925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).