6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C45H44F4N8O6 — CID 155010237

IUPAC6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C34COCC3C4)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C45CCC(C)(CC4)OC5)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1
InChIInChI=1S/C45H44F4N8O6/c1-3-61-33-15-38-55-36(45-17-26(45)22-60-24-45)21-57(38)18-31(33)53-42(59)30-14-25(13-29(51-30)40(48)49)7-12-62-34-16-37-54-35(44-10-8-43(2,9-11-44)63-23-44)20-56(37)19-32(34)52-41(58)28-6-4-5-27(50-28)39(46)47/h4-6,13-16,18-21,26,39-40H,3,7-12,17,22-24H2,1-2H3,(H,52,58)(H,53,59)
InChIKeyVPQHXMQALWMING-UHFFFAOYSA-N
MW868.89 g/mol
LogP8.06
Rot. Bonds14

About 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 155010237) has the molecular formula C45H44F4N8O6 and a molecular weight of 868.89 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID155010237
Molecular FormulaC45H44F4N8O6
Molecular Weight868.89 g/mol
Exact Mass868.33
IUPAC Name6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C34COCC3C4)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C45CCC(C)(CC4)OC5)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1
InChIInChI=1S/C45H44F4N8O6/c1-3-61-33-15-38-55-36(45-17-26(45)22-60-24-45)21-57(38)18-31(33)53-42(59)30-14-25(13-29(51-30)40(48)49)7-12-62-34-16-37-54-35(44-10-8-43(2,9-11-44)63-23-44)20-56(37)19-32(34)52-41(58)28-6-4-5-27(50-28)39(46)47/h4-6,13-16,18-21,26,39-40H,3,7-12,17,22-24H2,1-2H3,(H,52,58)(H,53,59)
InChIKeyVPQHXMQALWMING-UHFFFAOYSA-N
XLogP8.06
TPSA155.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.89
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 155010237) is 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCOc1cc2nc(C34COCC3C4)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C45CCC(C)(CC4)OC5)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is VPQHXMQALWMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44F4N8O6/c1-3-61-33-15-38-55-36(45-17-26(45)22-60-24-45)21-57(38)18-31(33)53-42(59)30-14-25(13-29(51-30)40(48)49)7-12-62-34-16-37-54-35(44-10-8-43(2,9-11-44)63-23-44)20-56(37)19-32(34)52-41(58)28-6-4-5-27(50-28)39(46)47/h4-6,13-16,18-21,26,39-40H,3,7-12,17,22-24H2,1-2H3,(H,52,58)(H,53,59).
What are the key properties of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 868.89 g/mol, XLogP of 8.06, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-1-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155010237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).