3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

C26H29F2N5O4 — CID 163260895

IUPAC3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(C)(O)CCc1cc2cc(C(=O)N3CCC(F)(F)CC3)cnc2n1-c1ccc(N2CCOC2=O)nc1
InChIInChI=1S/C26H29F2N5O4/c1-25(2,36)6-5-19-14-17-13-18(23(34)31-9-7-26(27,28)8-10-31)15-30-22(17)33(19)20-3-4-21(29-16-20)32-11-12-37-24(32)35/h3-4,13-16,36H,5-12H2,1-2H3
InChIKeySDPQLBSPNRPUGZ-UHFFFAOYSA-N
MW513.55 g/mol
LogP3.95
Rot. Bonds6

About 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one

3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 163260895) has the molecular formula C26H29F2N5O4 and a molecular weight of 513.55 g/mol. Its IUPAC name is 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID163260895
Molecular FormulaC26H29F2N5O4
Molecular Weight513.55 g/mol
Exact Mass513.22
IUPAC Name3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(C)(O)CCc1cc2cc(C(=O)N3CCC(F)(F)CC3)cnc2n1-c1ccc(N2CCOC2=O)nc1
InChIInChI=1S/C26H29F2N5O4/c1-25(2,36)6-5-19-14-17-13-18(23(34)31-9-7-26(27,28)8-10-31)15-30-22(17)33(19)20-3-4-21(29-16-20)32-11-12-37-24(32)35/h3-4,13-16,36H,5-12H2,1-2H3
InChIKeySDPQLBSPNRPUGZ-UHFFFAOYSA-N
XLogP3.95
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-[1-(4-cyanophenyl)-5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-2-yl]butanoic acid
CID 175510931
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;ethane
CID 156811391
(4,4-difluoropiperidin-1-yl)-[1-(6-isocyano-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 164780337
3-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 58484509
5-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydroisoindol-1-one
CID 154995296
4-[6-(4,4-difluoropiperidine-1-carbonyl)triazolo[4,5-b]pyridin-3-yl]benzoic acid
CID 156811179
ethane;2-methylpropane;3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 143049847
1-[5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-2-(1,2-oxazol-5-yl)ethanone
CID 165070914
2-cyclohexyl-1-[5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]ethanone
CID 170530612
(4,4-difluoropiperidin-1-yl)-[6-(5-morpholin-4-ylindazol-1-yl)-3-pyridinyl]methanone
CID 168987891
3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 67380784
5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-(3-methyl-3-methylsulfonylbut-1-ynyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carbonitrile
CID 164947910

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one (CID 163260895) is 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is CC(C)(O)CCc1cc2cc(C(=O)N3CCC(F)(F)CC3)cnc2n1-c1ccc(N2CCOC2=O)nc1.
What is the InChIKey of 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is SDPQLBSPNRPUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O4/c1-25(2,36)6-5-19-14-17-13-18(23(34)31-9-7-26(27,28)8-10-31)15-30-22(17)33(19)20-3-4-21(29-16-20)32-11-12-37-24(32)35/h3-4,13-16,36H,5-12H2,1-2H3.
What are the key properties of 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one?
3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 513.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-(3-hydroxy-3-methylbutyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 163260895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).