N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine

C18H13F2N5O — CID 141143103

IUPACN-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccccc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12
InChIInChI=1S/C18H13F2N5O/c1-26-14-5-3-2-4-11(14)16-17-18(25-24-16)23-15(9-21-17)22-13-7-6-10(19)8-12(13)20/h2-9H,1H3,(H2,22,23,24,25)
InChIKeyNGMOWZFKPMIKGB-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.05
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine

N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 141143103) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID141143103
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC NameN-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine
SMILESCOc1ccccc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12
InChIInChI=1S/C18H13F2N5O/c1-26-14-5-3-2-4-11(14)16-17-18(25-24-16)23-15(9-21-17)22-13-7-6-10(19)8-12(13)20/h2-9H,1H3,(H2,22,23,24,25)
InChIKeyNGMOWZFKPMIKGB-UHFFFAOYSA-N
XLogP4.05
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine (CID 141143103) is N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine is COc1ccccc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is NGMOWZFKPMIKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-26-14-5-3-2-4-11(14)16-17-18(25-24-16)23-15(9-21-17)22-13-7-6-10(19)8-12(13)20/h2-9H,1H3,(H2,22,23,24,25).
What are the key properties of N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine?
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 353.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 141143103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).