6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide

C42H44F2N8O6 — CID 155010164

IUPAC6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cc(COCc2cc3nc(C4CCOCC4)cn3cc2NC(=O)c2cccc(C)n2)cc(C(F)F)n1
InChIInChI=1S/C42H44F2N8O6/c1-3-58-37-18-39-48-34(28-9-13-56-14-10-28)20-52(39)22-36(37)50-42(54)32-16-26(15-31(46-32)40(43)44)23-57-24-29-17-38-47-33(27-7-11-55-12-8-27)19-51(38)21-35(29)49-41(53)30-6-4-5-25(2)45-30/h4-6,15-22,27-28,40H,3,7-14,23-24H2,1-2H3,(H,49,53)(H,50,54)
InChIKeyOISOJEHJOYEOSL-UHFFFAOYSA-N
MW794.86 g/mol
LogP7.43
Rot. Bonds13

About 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide (PubChem CID 155010164) has the molecular formula C42H44F2N8O6 and a molecular weight of 794.86 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide
PubChem CID155010164
Molecular FormulaC42H44F2N8O6
Molecular Weight794.86 g/mol
Exact Mass794.34
IUPAC Name6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cc(COCc2cc3nc(C4CCOCC4)cn3cc2NC(=O)c2cccc(C)n2)cc(C(F)F)n1
InChIInChI=1S/C42H44F2N8O6/c1-3-58-37-18-39-48-34(28-9-13-56-14-10-28)20-52(39)22-36(37)50-42(54)32-16-26(15-31(46-32)40(43)44)23-57-24-29-17-38-47-33(27-7-11-55-12-8-27)19-51(38)21-35(29)49-41(53)30-6-4-5-25(2)45-30/h4-6,15-22,27-28,40H,3,7-14,23-24H2,1-2H3,(H,49,53)(H,50,54)
InChIKeyOISOJEHJOYEOSL-UHFFFAOYSA-N
XLogP7.43
TPSA155.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500794.86
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide (CID 155010164) is 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide is CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cc(COCc2cc3nc(C4CCOCC4)cn3cc2NC(=O)c2cccc(C)n2)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide?
The InChIKey is OISOJEHJOYEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44F2N8O6/c1-3-58-37-18-39-48-34(28-9-13-56-14-10-28)20-52(39)22-36(37)50-42(54)32-16-26(15-31(46-32)40(43)44)23-57-24-29-17-38-47-33(27-7-11-55-12-8-27)19-51(38)21-35(29)49-41(53)30-6-4-5-25(2)45-30/h4-6,15-22,27-28,40H,3,7-14,23-24H2,1-2H3,(H,49,53)(H,50,54).
What are the key properties of 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide has a molecular weight of 794.86 g/mol, XLogP of 7.43, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 155010164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).