6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C44H36F4N10O6 — CID 155010166

IUPAC6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(Cn3ccccc3=O)cn2cc1NC(=O)c1cc(CCOc2cc3nc(COc4ccccn4)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1
InChIInChI=1S/C44H36F4N10O6/c1-2-62-35-18-37-50-27(20-56-14-6-4-11-40(56)59)21-57(37)23-33(35)55-44(61)32-17-26(16-31(53-32)42(47)48)12-15-63-36-19-38-51-28(25-64-39-10-3-5-13-49-39)22-58(38)24-34(36)54-43(60)30-9-7-8-29(52-30)41(45)46/h3-11,13-14,16-19,21-24,41-42H,2,12,15,20,25H2,1H3,(H,54,60)(H,55,61)
InChIKeyLGPQPMDOAPFMQY-UHFFFAOYSA-N
MW876.83 g/mol
LogP7.36
Rot. Bonds17

About 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 155010166) has the molecular formula C44H36F4N10O6 and a molecular weight of 876.83 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]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-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID155010166
Molecular FormulaC44H36F4N10O6
Molecular Weight876.83 g/mol
Exact Mass876.28
IUPAC Name6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(Cn3ccccc3=O)cn2cc1NC(=O)c1cc(CCOc2cc3nc(COc4ccccn4)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1
InChIInChI=1S/C44H36F4N10O6/c1-2-62-35-18-37-50-27(20-56-14-6-4-11-40(56)59)21-57(37)23-33(35)55-44(61)32-17-26(16-31(53-32)42(47)48)12-15-63-36-19-38-51-28(25-64-39-10-3-5-13-49-39)22-58(38)24-34(36)54-43(60)30-9-7-8-29(52-30)41(45)46/h3-11,13-14,16-19,21-24,41-42H,2,12,15,20,25H2,1H3,(H,54,60)(H,55,61)
InChIKeyLGPQPMDOAPFMQY-UHFFFAOYSA-N
XLogP7.36
TPSA181.16 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500876.83
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]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-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]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-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 155010166) is 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]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-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]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-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCOc1cc2nc(Cn3ccccc3=O)cn2cc1NC(=O)c1cc(CCOc2cc3nc(COc4ccccn4)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-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is LGPQPMDOAPFMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36F4N10O6/c1-2-62-35-18-37-50-27(20-56-14-6-4-11-40(56)59)21-57(37)23-33(35)55-44(61)32-17-26(16-31(53-32)42(47)48)12-15-63-36-19-38-51-28(25-64-39-10-3-5-13-49-39)22-58(38)24-34(36)54-43(60)30-9-7-8-29(52-30)41(45)46/h3-11,13-14,16-19,21-24,41-42H,2,12,15,20,25H2,1H3,(H,54,60)(H,55,61).
What are the key properties of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 876.83 g/mol, XLogP of 7.36, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155010166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).