7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one

C20H17F2N5O — CID 68892708

IUPAC7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one
SMILESCC1CC(c2nc3nccnc3n2Cc2cc(=O)[nH]c3c(F)c(F)ccc23)C1
InChIInChI=1S/C20H17F2N5O/c1-10-6-11(7-10)19-26-18-20(24-5-4-23-18)27(19)9-12-8-15(28)25-17-13(12)2-3-14(21)16(17)22/h2-5,8,10-11H,6-7,9H2,1H3,(H,25,28)
InChIKeyZBNGIFMEHWCFPD-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.51
Rot. Bonds3

About 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one

7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one (PubChem CID 68892708) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one
PubChem CID68892708
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one
SMILESCC1CC(c2nc3nccnc3n2Cc2cc(=O)[nH]c3c(F)c(F)ccc23)C1
InChIInChI=1S/C20H17F2N5O/c1-10-6-11(7-10)19-26-18-20(24-5-4-23-18)27(19)9-12-8-15(28)25-17-13(12)2-3-14(21)16(17)22/h2-5,8,10-11H,6-7,9H2,1H3,(H,25,28)
InChIKeyZBNGIFMEHWCFPD-UHFFFAOYSA-N
XLogP3.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one (CID 68892708) is 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one is CC1CC(c2nc3nccnc3n2Cc2cc(=O)[nH]c3c(F)c(F)ccc23)C1.
What is the InChIKey of 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one?
The InChIKey is ZBNGIFMEHWCFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-10-6-11(7-10)19-26-18-20(24-5-4-23-18)27(19)9-12-8-15(28)25-17-13(12)2-3-14(21)16(17)22/h2-5,8,10-11H,6-7,9H2,1H3,(H,25,28).
What are the key properties of 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one has a molecular weight of 381.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[[2-(3-methylcyclobutyl)imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 68892708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).