3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one

C29H28FN5O2 — CID 158661150

IUPAC3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
SMILES[2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)CCC4=O)cn(c23)C1([2H])[2H]
InChIInChI=1S/C29H28FN5O2/c30-20-14-19-17-34(29(37)32-9-3-1-4-10-32)13-12-33-18-23(22(15-20)28(19)33)27-21(7-8-25(27)36)24-16-31-26-6-2-5-11-35(24)26/h2,5-6,11,14-16,18H,1,3-4,7-10,12-13,17H2/i12D2,13D2
InChIKeyJRNSGDRFGPPCER-IDPVZSQYSA-N
MW501.60 g/mol
LogP5.12
Rot. Bonds2

About 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one

3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one (PubChem CID 158661150) has the molecular formula C29H28FN5O2 and a molecular weight of 501.60 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
PubChem CID158661150
Molecular FormulaC29H28FN5O2
Molecular Weight501.60 g/mol
Exact Mass501.25
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one
SMILES[2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)CCC4=O)cn(c23)C1([2H])[2H]
InChIInChI=1S/C29H28FN5O2/c30-20-14-19-17-34(29(37)32-9-3-1-4-10-32)13-12-33-18-23(22(15-20)28(19)33)27-21(7-8-25(27)36)24-16-31-26-6-2-5-11-35(24)26/h2,5-6,11,14-16,18H,1,3-4,7-10,12-13,17H2/i12D2,13D2
InChIKeyJRNSGDRFGPPCER-IDPVZSQYSA-N
XLogP5.12
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.60
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one (CID 158661150) is 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one is [2H]C1([2H])N(C(=O)N2CCCCC2)Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)CCC4=O)cn(c23)C1([2H])[2H].
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?
The InChIKey is JRNSGDRFGPPCER-IDPVZSQYSA-N. The full InChI is InChI=1S/C29H28FN5O2/c30-20-14-19-17-34(29(37)32-9-3-1-4-10-32)13-12-33-18-23(22(15-20)28(19)33)27-21(7-8-25(27)36)24-16-31-26-6-2-5-11-35(24)26/h2,5-6,11,14-16,18H,1,3-4,7-10,12-13,17H2/i12D2,13D2.
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one?
3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one has a molecular weight of 501.60 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-2-[11,11,12,12-tetradeuterio-6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 158661150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).