4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

C28H23F5N6O2 — CID 135275044

IUPAC4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CC(F)(F)CC(F)(F)C1)CC2
InChIInChI=1S/C28H23F5N6O2/c29-17-7-16-11-37(26(41)38-14-27(30,31)13-28(32,33)15-38)6-5-36-12-20(18(8-17)24(16)36)23-19(9-35-25(23)40)21-10-34-22-3-1-2-4-39(21)22/h1-4,7-8,10,12H,5-6,9,11,13-15H2,(H,35,40)
InChIKeyOPWSLCQCTSLUFT-UHFFFAOYSA-N
MW570.52 g/mol
LogP4.38
Rot. Bonds2

About 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (PubChem CID 135275044) has the molecular formula C28H23F5N6O2 and a molecular weight of 570.52 g/mol. Its IUPAC name is 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
PubChem CID135275044
Molecular FormulaC28H23F5N6O2
Molecular Weight570.52 g/mol
Exact Mass570.18
IUPAC Name4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CC(F)(F)CC(F)(F)C1)CC2
InChIInChI=1S/C28H23F5N6O2/c29-17-7-16-11-37(26(41)38-14-27(30,31)13-28(32,33)15-38)6-5-36-12-20(18(8-17)24(16)36)23-19(9-35-25(23)40)21-10-34-22-3-1-2-4-39(21)22/h1-4,7-8,10,12H,5-6,9,11,13-15H2,(H,35,40)
InChIKeyOPWSLCQCTSLUFT-UHFFFAOYSA-N
XLogP4.38
TPSA74.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one (CID 135275044) is 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is O=C1NCC(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CC(F)(F)CC(F)(F)C1)CC2.
What is the InChIKey of 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
The InChIKey is OPWSLCQCTSLUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F5N6O2/c29-17-7-16-11-37(26(41)38-14-27(30,31)13-28(32,33)15-38)6-5-36-12-20(18(8-17)24(16)36)23-19(9-35-25(23)40)21-10-34-22-3-1-2-4-39(21)22/h1-4,7-8,10,12H,5-6,9,11,13-15H2,(H,35,40).
What are the key properties of 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one?
4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one has a molecular weight of 570.52 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135275044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).