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

C22H21F2N5O — CID 25211494

IUPAC4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
SMILESCN(C)c1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C22H21F2N5O/c1-28(2)16-8-9-25-22-20(16)27-21(12-4-3-5-12)29(22)11-13-10-17(30)26-19-14(13)6-7-15(23)18(19)24/h6-10,12H,3-5,11H2,1-2H3,(H,26,30)
InChIKeyJMYRAFSCTWQKQF-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.93
Rot. Bonds4

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

4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one (PubChem CID 25211494) has the molecular formula C22H21F2N5O and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
PubChem CID25211494
Molecular FormulaC22H21F2N5O
Molecular Weight409.44 g/mol
Exact Mass409.17
IUPAC Name4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
SMILESCN(C)c1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C22H21F2N5O/c1-28(2)16-8-9-25-22-20(16)27-21(12-4-3-5-12)29(22)11-13-10-17(30)26-19-14(13)6-7-15(23)18(19)24/h6-10,12H,3-5,11H2,1-2H3,(H,26,30)
InChIKeyJMYRAFSCTWQKQF-UHFFFAOYSA-N
XLogP3.93
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one (CID 25211494) is 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one is CN(C)c1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one?
The InChIKey is JMYRAFSCTWQKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O/c1-28(2)16-8-9-25-22-20(16)27-21(12-4-3-5-12)29(22)11-13-10-17(30)26-19-14(13)6-7-15(23)18(19)24/h6-10,12H,3-5,11H2,1-2H3,(H,26,30).
What are the key properties of 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one?
4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one has a molecular weight of 409.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one is sourced from PubChem (CID 25211494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).