6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide

C58H44ClF16N5O8 — CID 161399724

IUPAC6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCCNc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)CCC(F)(F)C(F)(F)C(F)(F)F)c1.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3ccc(OC)c(C(=O)CCC(F)(F)C(F)(F)C(F)(F)F)c3)cc12
InChIInChI=1S/C30H25F8N3O4.C28H19ClF8N2O4/c1-4-40-25-18(14-20-23(26(43)39-2)24(45-27(20)41-25)15-5-8-17(31)9-6-15)16-7-10-22(44-3)19(13-16)21(42)11-12-28(32,33)29(34,35)30(36,37)38;1-38-24(41)21-18-12-16(23(29)39-25(18)43-22(21)13-3-6-15(30)7-4-13)14-5-8-20(42-2)17(11-14)19(40)9-10-26(31,32)27(33,34)28(35,36)37/h5-10,13-14H,4,11-12H2,1-3H3,(H,39,43)(H,40,41);3-8,11-12H,9-10H2,1-2H3,(H,38,41)
InChIKeyVUBNKSKONATNLR-UHFFFAOYSA-N
MW1278.44 g/mol
LogP16.01
Rot. Bonds20

About 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide

6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 161399724) has the molecular formula C58H44ClF16N5O8 and a molecular weight of 1278.44 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID161399724
Molecular FormulaC58H44ClF16N5O8
Molecular Weight1278.44 g/mol
Exact Mass1277.26
IUPAC Name6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCCNc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)CCC(F)(F)C(F)(F)C(F)(F)F)c1.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3ccc(OC)c(C(=O)CCC(F)(F)C(F)(F)C(F)(F)F)c3)cc12
InChIInChI=1S/C30H25F8N3O4.C28H19ClF8N2O4/c1-4-40-25-18(14-20-23(26(43)39-2)24(45-27(20)41-25)15-5-8-17(31)9-6-15)16-7-10-22(44-3)19(13-16)21(42)11-12-28(32,33)29(34,35)30(36,37)38;1-38-24(41)21-18-12-16(23(29)39-25(18)43-22(21)13-3-6-15(30)7-4-13)14-5-8-20(42-2)17(11-14)19(40)9-10-26(31,32)27(33,34)28(35,36)37/h5-10,13-14H,4,11-12H2,1-3H3,(H,39,43)(H,40,41);3-8,11-12H,9-10H2,1-2H3,(H,38,41)
InChIKeyVUBNKSKONATNLR-UHFFFAOYSA-N
XLogP16.01
TPSA174.89 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.44
LogP ≤ 516.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

6-chloro-5-[3-(3,3-dimethylpent-4-ynoyl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
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6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine
CID 145014859
5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 147411671
2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118896056
5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 129090697
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CID 118896101
5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide
CID 147664571
3-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-4-fluorobenzoic acid
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2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6-nitro-1-benzofuran-3-carboxamide
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5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
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bicyclo[1.1.1]pentan-1-amine;5-[5-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-methyl-3-pyridinyl]-6-(2,2-difluoroethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylic acid;methyl 5-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-2-methylpyridine-3-carboxylate;2,2,2-trifluoroethanamine;hydrochloride
CID 157326108

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 161399724) is 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide is CCNc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)CCC(F)(F)C(F)(F)C(F)(F)F)c1.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3ccc(OC)c(C(=O)CCC(F)(F)C(F)(F)C(F)(F)F)c3)cc12.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is VUBNKSKONATNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F8N3O4.C28H19ClF8N2O4/c1-4-40-25-18(14-20-23(26(43)39-2)24(45-27(20)41-25)15-5-8-17(31)9-6-15)16-7-10-22(44-3)19(13-16)21(42)11-12-28(32,33)29(34,35)30(36,37)38;1-38-24(41)21-18-12-16(23(29)39-25(18)43-22(21)13-3-6-15(30)7-4-13)14-5-8-20(42-2)17(11-14)19(40)9-10-26(31,32)27(33,34)28(35,36)37/h5-10,13-14H,4,11-12H2,1-3H3,(H,39,43)(H,40,41);3-8,11-12H,9-10H2,1-2H3,(H,38,41).
What are the key properties of 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 1278.44 g/mol, XLogP of 16.01, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 161399724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).