1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine

C15H15F2N7O — CID 168752072

IUPAC1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(CC45CC(C4)C5)c3n2)[nH]n1
InChIInChI=1S/C15H15F2N7O/c16-14(17)25-12-1-10(22-23-12)20-11-6-18-9-5-19-24(13(9)21-11)7-15-2-8(3-15)4-15/h1,5-6,8,14H,2-4,7H2,(H2,20,21,22,23)
InChIKeyAHLQDNRIUCELEQ-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.69
Rot. Bonds6

About 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine

1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168752072) has the molecular formula C15H15F2N7O and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168752072
Molecular FormulaC15H15F2N7O
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(CC45CC(C4)C5)c3n2)[nH]n1
InChIInChI=1S/C15H15F2N7O/c16-14(17)25-12-1-10(22-23-12)20-11-6-18-9-5-19-24(13(9)21-11)7-15-2-8(3-15)4-15/h1,5-6,8,14H,2-4,7H2,(H2,20,21,22,23)
InChIKeyAHLQDNRIUCELEQ-UHFFFAOYSA-N
XLogP2.69
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Certociclib
CID 168752082
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751891
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751893
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[2-fluoro-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751895
trans-(1S,3S)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclopentan-1-ol
CID 168751897
1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol
CID 168751899
1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751901
(2S,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]pentan-2-ol
CID 168751902
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 168751905
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
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(2-oxabicyclo[2.2.2]octan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
CID 168751915
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
CID 168751916

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine (CID 168752072) is 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine is FC(F)Oc1cc(Nc2cnc3cnn(CC45CC(C4)C5)c3n2)[nH]n1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is AHLQDNRIUCELEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7O/c16-14(17)25-12-1-10(22-23-12)20-11-6-18-9-5-19-24(13(9)21-11)7-15-2-8(3-15)4-15/h1,5-6,8,14H,2-4,7H2,(H2,20,21,22,23).
What are the key properties of 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 347.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168752072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).