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

C14H15F2N7O — CID 168751901

IUPAC1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H](C1CC1)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C14H15F2N7O/c1-7(8-2-3-8)23-13-9(5-18-23)17-6-11(20-13)19-10-4-12(22-21-10)24-14(15)16/h4-8,14H,2-3H2,1H3,(H2,19,20,21,22)/t7-/m1/s1
InChIKeyXLASUWLENCOESD-SSDOTTSWSA-N
MW335.32 g/mol
LogP2.87
Rot. Bonds6

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

1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168751901) has the molecular formula C14H15F2N7O and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168751901
Molecular FormulaC14H15F2N7O
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Name1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H](C1CC1)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C14H15F2N7O/c1-7(8-2-3-8)23-13-9(5-18-23)17-6-11(20-13)19-10-4-12(22-21-10)24-14(15)16/h4-8,14H,2-3H2,1H3,(H2,19,20,21,22)/t7-/m1/s1
InChIKeyXLASUWLENCOESD-SSDOTTSWSA-N
XLogP2.87
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine (CID 168751901) is 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine is C[C@H](C1CC1)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21.
What is the InChIKey of 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is XLASUWLENCOESD-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H15F2N7O/c1-7(8-2-3-8)23-13-9(5-18-23)17-6-11(20-13)19-10-4-12(22-21-10)24-14(15)16/h4-8,14H,2-3H2,1H3,(H2,19,20,21,22)/t7-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 335.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropylethyl]-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168751901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).