N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine

C14H11F2N9O — CID 168751916

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(Cc4cnccn4)c3n2)[nH]n1
InChIInChI=1S/C14H11F2N9O/c15-14(16)26-12-3-10(23-24-12)21-11-6-19-9-5-20-25(13(9)22-11)7-8-4-17-1-2-18-8/h1-6,14H,7H2,(H2,21,22,23,24)
InChIKeyCAUJTVFJXCSJAO-UHFFFAOYSA-N
MW359.30 g/mol
LogP1.73
Rot. Bonds6

About N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168751916) has the molecular formula C14H11F2N9O and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168751916
Molecular FormulaC14H11F2N9O
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(Cc4cnccn4)c3n2)[nH]n1
InChIInChI=1S/C14H11F2N9O/c15-14(16)26-12-3-10(23-24-12)21-11-6-19-9-5-20-25(13(9)22-11)7-8-4-17-1-2-18-8/h1-6,14H,7H2,(H2,21,22,23,24)
InChIKeyCAUJTVFJXCSJAO-UHFFFAOYSA-N
XLogP1.73
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine (CID 168751916) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine is FC(F)Oc1cc(Nc2cnc3cnn(Cc4cnccn4)c3n2)[nH]n1.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is CAUJTVFJXCSJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N9O/c15-14(16)26-12-3-10(23-24-12)21-11-6-19-9-5-20-25(13(9)22-11)7-8-4-17-1-2-18-8/h1-6,14H,7H2,(H2,21,22,23,24).
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 359.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168751916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).