6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C38H37F5N8O6 — CID 154655617

IUPAC6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C(C)(C)O)cn2cc1NC(=O)c1nc(C(F)F)ccc1CCOc1cc2nc(CC(F)CO)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C38H37F5N8O6/c1-4-56-28-13-32-49-30(38(2,3)55)18-51(32)17-26(28)48-37(54)33-20(8-9-24(46-33)35(42)43)10-11-57-29-14-31-44-22(12-21(39)19-52)15-50(31)16-27(29)47-36(53)25-7-5-6-23(45-25)34(40)41/h5-9,13-18,21,34-35,52,55H,4,10-12,19H2,1-3H3,(H,47,53)(H,48,54)
InChIKeyPSLHASSFNZOYER-UHFFFAOYSA-N
MW796.75 g/mol
LogP6.27
Rot. Bonds16

About 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655617) has the molecular formula C38H37F5N8O6 and a molecular weight of 796.75 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655617
Molecular FormulaC38H37F5N8O6
Molecular Weight796.75 g/mol
Exact Mass796.28
IUPAC Name6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C(C)(C)O)cn2cc1NC(=O)c1nc(C(F)F)ccc1CCOc1cc2nc(CC(F)CO)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C38H37F5N8O6/c1-4-56-28-13-32-49-30(38(2,3)55)18-51(32)17-26(28)48-37(54)33-20(8-9-24(46-33)35(42)43)10-11-57-29-14-31-44-22(12-21(39)19-52)15-50(31)16-27(29)47-36(53)25-7-5-6-23(45-25)34(40)41/h5-9,13-18,21,34-35,52,55H,4,10-12,19H2,1-3H3,(H,47,53)(H,48,54)
InChIKeyPSLHASSFNZOYER-UHFFFAOYSA-N
XLogP6.27
TPSA177.50 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.75
LogP ≤ 56.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide 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 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655617) is 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCOc1cc2nc(C(C)(C)O)cn2cc1NC(=O)c1nc(C(F)F)ccc1CCOc1cc2nc(CC(F)CO)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is PSLHASSFNZOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37F5N8O6/c1-4-56-28-13-32-49-30(38(2,3)55)18-51(32)17-26(28)48-37(54)33-20(8-9-24(46-33)35(42)43)10-11-57-29-14-31-44-22(12-21(39)19-52)15-50(31)16-27(29)47-36(53)25-7-5-6-23(45-25)34(40)41/h5-9,13-18,21,34-35,52,55H,4,10-12,19H2,1-3H3,(H,47,53)(H,48,54).
What are the key properties of 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 796.75 g/mol, XLogP of 6.27, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).