6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine

C9H10ClFN4O — CID 166105280

IUPAC6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine
SMILESCOCC(F)Cn1ncc2ncc(Cl)nc21
InChIInChI=1S/C9H10ClFN4O/c1-16-5-6(11)4-15-9-7(2-13-15)12-3-8(10)14-9/h2-3,6H,4-5H2,1H3
InChIKeyNOYTVMDSYOAFSU-UHFFFAOYSA-N
MW244.66 g/mol
LogP1.46
Rot. Bonds4

About 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine

6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine (PubChem CID 166105280) has the molecular formula C9H10ClFN4O and a molecular weight of 244.66 g/mol. Its IUPAC name is 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine
PubChem CID166105280
Molecular FormulaC9H10ClFN4O
Molecular Weight244.66 g/mol
Exact Mass244.05
IUPAC Name6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine
SMILESCOCC(F)Cn1ncc2ncc(Cl)nc21
InChIInChI=1S/C9H10ClFN4O/c1-16-5-6(11)4-15-9-7(2-13-15)12-3-8(10)14-9/h2-3,6H,4-5H2,1H3
InChIKeyNOYTVMDSYOAFSU-UHFFFAOYSA-N
XLogP1.46
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine (CID 166105280) is 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine is COCC(F)Cn1ncc2ncc(Cl)nc21.
What is the InChIKey of 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is NOYTVMDSYOAFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN4O/c1-16-5-6(11)4-15-9-7(2-13-15)12-3-8(10)14-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine?
6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 244.66 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166105280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).