5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine

C17H8Cl2F2N4O — CID 59812813

IUPAC5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine
SMILESFc1ccc(Oc2nc3n[nH]c(-c4ccccc4Cl)c3nc2Cl)c(F)c1
InChIInChI=1S/C17H8Cl2F2N4O/c18-10-4-2-1-3-9(10)13-14-16(25-24-13)23-17(15(19)22-14)26-12-6-5-8(20)7-11(12)21/h1-7H,(H,23,24,25)
InChIKeyQJQHKBWVCAPFNB-UHFFFAOYSA-N
MW393.18 g/mol
LogP5.40
Rot. Bonds3

About 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine

5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 59812813) has the molecular formula C17H8Cl2F2N4O and a molecular weight of 393.18 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID59812813
Molecular FormulaC17H8Cl2F2N4O
Molecular Weight393.18 g/mol
Exact Mass392.00
IUPAC Name5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine
SMILESFc1ccc(Oc2nc3n[nH]c(-c4ccccc4Cl)c3nc2Cl)c(F)c1
InChIInChI=1S/C17H8Cl2F2N4O/c18-10-4-2-1-3-9(10)13-14-16(25-24-13)23-17(15(19)22-14)26-12-6-5-8(20)7-11(12)21/h1-7H,(H,23,24,25)
InChIKeyQJQHKBWVCAPFNB-UHFFFAOYSA-N
XLogP5.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.18
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine (CID 59812813) is 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine is Fc1ccc(Oc2nc3n[nH]c(-c4ccccc4Cl)c3nc2Cl)c(F)c1.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is QJQHKBWVCAPFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2F2N4O/c18-10-4-2-1-3-9(10)13-14-16(25-24-13)23-17(15(19)22-14)26-12-6-5-8(20)7-11(12)21/h1-7H,(H,23,24,25).
What are the key properties of 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine?
5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 393.18 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 59812813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).