3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

C30H27F3N6O4 — CID 142456418

IUPAC3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCC(CO)CC1)CC2
InChIInChI=1S/C30H27F3N6O4/c31-30(32,33)19-11-18-14-38(29(43)36-7-4-17(16-40)5-8-36)10-9-37-15-21(20(12-19)26(18)37)24-25(28(42)35-27(24)41)22-13-34-23-3-1-2-6-39(22)23/h1-3,6,11-13,15,17,40H,4-5,7-10,14,16H2,(H,35,41,42)
InChIKeyGEDOINOOIVLXDE-UHFFFAOYSA-N
MW592.58 g/mol
LogP3.51
Rot. Bonds3

About 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione (PubChem CID 142456418) has the molecular formula C30H27F3N6O4 and a molecular weight of 592.58 g/mol. Its IUPAC name is 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
PubChem CID142456418
Molecular FormulaC30H27F3N6O4
Molecular Weight592.58 g/mol
Exact Mass592.20
IUPAC Name3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCC(CO)CC1)CC2
InChIInChI=1S/C30H27F3N6O4/c31-30(32,33)19-11-18-14-38(29(43)36-7-4-17(16-40)5-8-36)10-9-37-15-21(20(12-19)26(18)37)24-25(28(42)35-27(24)41)22-13-34-23-3-1-2-6-39(22)23/h1-3,6,11-13,15,17,40H,4-5,7-10,14,16H2,(H,35,41,42)
InChIKeyGEDOINOOIVLXDE-UHFFFAOYSA-N
XLogP3.51
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.58
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-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-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The IUPAC name of 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione (CID 142456418) is 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione is O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCC(CO)CC1)CC2.
What is the InChIKey of 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The InChIKey is GEDOINOOIVLXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O4/c31-30(32,33)19-11-18-14-38(29(43)36-7-4-17(16-40)5-8-36)10-9-37-15-21(20(12-19)26(18)37)24-25(28(42)35-27(24)41)22-13-34-23-3-1-2-6-39(22)23/h1-3,6,11-13,15,17,40H,4-5,7-10,14,16H2,(H,35,41,42).
What are the key properties of 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione has a molecular weight of 592.58 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[4-(hydroxymethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 142456418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).