3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione

C30H25F3N6O4 — CID 146262230

IUPAC3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CC3CCC(C1)O3)CC2
InChIInChI=1S/C30H25F3N6O4/c31-30(32,33)17-9-16-12-37(29(42)38-13-18-4-5-19(14-38)43-18)8-7-36-15-21(20(10-17)26(16)36)24-25(28(41)35-27(24)40)22-11-34-23-3-1-2-6-39(22)23/h1-3,6,9-11,15,18-19H,4-5,7-8,12-14H2,(H,35,40,41)
InChIKeyMBYMKNRTLQOPEX-UHFFFAOYSA-N
MW590.56 g/mol
LogP3.67
Rot. Bonds2

About 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione

3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione (PubChem CID 146262230) has the molecular formula C30H25F3N6O4 and a molecular weight of 590.56 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione
PubChem CID146262230
Molecular FormulaC30H25F3N6O4
Molecular Weight590.56 g/mol
Exact Mass590.19
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CC3CCC(C1)O3)CC2
InChIInChI=1S/C30H25F3N6O4/c31-30(32,33)17-9-16-12-37(29(42)38-13-18-4-5-19(14-38)43-18)8-7-36-15-21(20(10-17)26(16)36)24-25(28(41)35-27(24)40)22-11-34-23-3-1-2-6-39(22)23/h1-3,6,9-11,15,18-19H,4-5,7-8,12-14H2,(H,35,40,41)
InChIKeyMBYMKNRTLQOPEX-UHFFFAOYSA-N
XLogP3.67
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione (CID 146262230) is 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CC3CCC(C1)O3)CC2.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione?
The InChIKey is MBYMKNRTLQOPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O4/c31-30(32,33)17-9-16-12-37(29(42)38-13-18-4-5-19(14-38)43-18)8-7-36-15-21(20(10-17)26(16)36)24-25(28(41)35-27(24)40)22-11-34-23-3-1-2-6-39(22)23/h1-3,6,9-11,15,18-19H,4-5,7-8,12-14H2,(H,35,40,41).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione?
3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione has a molecular weight of 590.56 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-4-[10-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 146262230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).