1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine

C16H15F4N7O — CID 168751914

IUPAC1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(CC4C[C@@H]5[C@H](C4)C5(F)F)c3n2)[nH]n1
InChIInChI=1S/C16H15F4N7O/c17-15(18)28-13-3-11(25-26-13)23-12-5-21-10-4-22-27(14(10)24-12)6-7-1-8-9(2-7)16(8,19)20/h3-5,7-9,15H,1-2,6H2,(H2,23,24,25,26)/t7?,8-,9+
InChIKeyVOZJNXOHYMSQJE-CBLAIPOGSA-N
MW397.34 g/mol
LogP3.19
Rot. Bonds6

About 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine

1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168751914) has the molecular formula C16H15F4N7O and a molecular weight of 397.34 g/mol. Its IUPAC name is 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168751914
Molecular FormulaC16H15F4N7O
Molecular Weight397.34 g/mol
Exact Mass397.13
IUPAC Name1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(CC4C[C@@H]5[C@H](C4)C5(F)F)c3n2)[nH]n1
InChIInChI=1S/C16H15F4N7O/c17-15(18)28-13-3-11(25-26-13)23-12-5-21-10-4-22-27(14(10)24-12)6-7-1-8-9(2-7)16(8,19)20/h3-5,7-9,15H,1-2,6H2,(H2,23,24,25,26)/t7?,8-,9+
InChIKeyVOZJNXOHYMSQJE-CBLAIPOGSA-N
XLogP3.19
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine (CID 168751914) is 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine is FC(F)Oc1cc(Nc2cnc3cnn(CC4C[C@@H]5[C@H](C4)C5(F)F)c3n2)[nH]n1.
What is the InChIKey of 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is VOZJNXOHYMSQJE-CBLAIPOGSA-N. The full InChI is InChI=1S/C16H15F4N7O/c17-15(18)28-13-3-11(25-26-13)23-12-5-21-10-4-22-27(14(10)24-12)6-7-1-8-9(2-7)16(8,19)20/h3-5,7-9,15H,1-2,6H2,(H2,23,24,25,26)/t7?,8-,9+.
What are the key properties of 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 397.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168751914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).