6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide

C44H46F3N9O7 — CID 154655509

About 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide

6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide (PubChem CID 154655509) has the molecular formula C44H46F3N9O7 and a molecular weight of 869.90 g/mol. Its IUPAC name is 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide
• PubChem CID: 154655509
• Molecular Formula: C44H46F3N9O7
• Molecular Weight: 869.90 g/mol
• Exact Mass: 869.35
• IUPAC Name: 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide
• SMILES: CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1nc(OC2CCC2)ccc1CCOc1cc2nc(C3C4COCC43)cn2cc1NC(=O)c1ccn(CC(F)(F)F)n1
• InChI: InChI=1S/C44H46F3N9O7/c1-2-61-35-16-37-48-31(25-9-13-59-14-10-25)18-54(37)19-32(35)51-43(58)41-26(6-7-39(52-41)63-27-4-3-5-27)11-15-62-36-17-38-49-34(40-28-22-60-23-29(28)40)21-55(38)20-33(36)50-42(57)30-8-12-56(53-30)24-44(45,46)47/h6-8,12,16-21,25,27-29,40H,2-5,9-11,13-15,22-24H2,1H3,(H,50,57)(H,51,58)
• InChIKey: HCWGDKBAGAUCGO-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 169.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.90
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide?

The IUPAC name of 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide (CID 154655509) is 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide?

The canonical SMILES for 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide is CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1nc(OC2CCC2)ccc1CCOc1cc2nc(C3C4COCC43)cn2cc1NC(=O)c1ccn(CC(F)(F)F)n1.

What is the InChIKey of 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide?

The InChIKey is HCWGDKBAGAUCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46F3N9O7/c1-2-61-35-16-37-48-31(25-9-13-59-14-10-25)18-54(37)19-32(35)51-43(58)41-26(6-7-39(52-41)63-27-4-3-5-27)11-15-62-36-17-38-49-34(40-28-22-60-23-29(28)40)21-55(38)20-33(36)50-42(57)30-8-12-56(53-30)24-44(45,46)47/h6-8,12,16-21,25,27-29,40H,2-5,9-11,13-15,22-24H2,1H3,(H,50,57)(H,51,58).

What are the key properties of 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide?

6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide has a molecular weight of 869.90 g/mol, XLogP of 6.85, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclobutyloxy-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[[1-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 154655509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).