2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide

C94H91F14N11O11S — CID 163510450

IUPAC2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
SMILESC=C(N1CCC(O)CC1)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccn1.CC(=O)C1CC2CC[C@H](C1)N2C(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccn1.CC(=O)CC1(O)CC2CCC(C1)N2C(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1F.Cc1nc2c(s1)CN(C(=O)C(F)(F)c1cc(C(=O)Nc3ccc(F)c(C)c3)ccc1F)CC2
InChIInChI=1S/C26H26F4N2O4.C24H24F3N3O3.C23H19F4N3O2S.C21H22F3N3O2/c1-14-9-17(4-8-21(14)27)31-23(34)16-3-7-22(28)20(10-16)26(29,30)24(35)32-18-5-6-19(32)13-25(36,12-18)11-15(2)33;1-13-9-17(3-6-20(13)25)29-22(32)15-7-8-28-21(12-15)24(26,27)23(33)30-18-4-5-19(30)11-16(10-18)14(2)31;1-12-9-15(4-6-17(12)24)29-21(31)14-3-5-18(25)16(10-14)23(26,27)22(32)30-8-7-19-20(11-30)33-13(2)28-19;1-13-11-16(3-4-18(13)22)26-20(29)15-5-8-25-19(12-15)21(23,24)14(2)27-9-6-17(28)7-10-27/h3-4,7-10,18-19,36H,5-6,11-13H2,1-2H3,(H,31,34);3,6-9,12,16,18-19H,4-5,10-11H2,1-2H3,(H,29,32);3-6,9-10H,7-8,11H2,1-2H3,(H,29,31);3-5,8,11-12,17,28H,2,6-7,9-10H2,1H3,(H,26,29)/t;16?,18-,19?;;/m.1../s1
InChIKeyDCGIFMGUZSXRPX-BOKRFKQQSA-N
MW1848.87 g/mol
LogP17.52
Rot. Bonds20

About 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide

2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide (PubChem CID 163510450) has the molecular formula C94H91F14N11O11S and a molecular weight of 1848.87 g/mol. Its IUPAC name is 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
PubChem CID163510450
Molecular FormulaC94H91F14N11O11S
Molecular Weight1848.87 g/mol
Exact Mass1847.64
IUPAC Name2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
SMILESC=C(N1CCC(O)CC1)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccn1.CC(=O)C1CC2CC[C@H](C1)N2C(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccn1.CC(=O)CC1(O)CC2CCC(C1)N2C(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1F.Cc1nc2c(s1)CN(C(=O)C(F)(F)c1cc(C(=O)Nc3ccc(F)c(C)c3)ccc1F)CC2
InChIInChI=1S/C26H26F4N2O4.C24H24F3N3O3.C23H19F4N3O2S.C21H22F3N3O2/c1-14-9-17(4-8-21(14)27)31-23(34)16-3-7-22(28)20(10-16)26(29,30)24(35)32-18-5-6-19(32)13-25(36,12-18)11-15(2)33;1-13-9-17(3-6-20(13)25)29-22(32)15-7-8-28-21(12-15)24(26,27)23(33)30-18-4-5-19(30)11-16(10-18)14(2)31;1-12-9-15(4-6-17(12)24)29-21(31)14-3-5-18(25)16(10-14)23(26,27)22(32)30-8-7-19-20(11-30)33-13(2)28-19;1-13-11-16(3-4-18(13)22)26-20(29)15-5-8-25-19(12-15)21(23,24)14(2)27-9-6-17(28)7-10-27/h3-4,7-10,18-19,36H,5-6,11-13H2,1-2H3,(H,31,34);3,6-9,12,16,18-19H,4-5,10-11H2,1-2H3,(H,29,32);3-6,9-10H,7-8,11H2,1-2H3,(H,29,31);3-5,8,11-12,17,28H,2,6-7,9-10H2,1H3,(H,26,29)/t;16?,18-,19?;;/m.1../s1
InChIKeyDCGIFMGUZSXRPX-BOKRFKQQSA-N
XLogP17.52
TPSA293.84 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001848.87
LogP ≤ 517.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide (CID 163510450) is 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide is C=C(N1CCC(O)CC1)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccn1.CC(=O)C1CC2CC[C@H](C1)N2C(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccn1.CC(=O)CC1(O)CC2CCC(C1)N2C(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1F.Cc1nc2c(s1)CN(C(=O)C(F)(F)c1cc(C(=O)Nc3ccc(F)c(C)c3)ccc1F)CC2.
What is the InChIKey of 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The InChIKey is DCGIFMGUZSXRPX-BOKRFKQQSA-N. The full InChI is InChI=1S/C26H26F4N2O4.C24H24F3N3O3.C23H19F4N3O2S.C21H22F3N3O2/c1-14-9-17(4-8-21(14)27)31-23(34)16-3-7-22(28)20(10-16)26(29,30)24(35)32-18-5-6-19(32)13-25(36,12-18)11-15(2)33;1-13-9-17(3-6-20(13)25)29-22(32)15-7-8-28-21(12-15)24(26,27)23(33)30-18-4-5-19(30)11-16(10-18)14(2)31;1-12-9-15(4-6-17(12)24)29-21(31)14-3-5-18(25)16(10-14)23(26,27)22(32)30-8-7-19-20(11-30)33-13(2)28-19;1-13-11-16(3-4-18(13)22)26-20(29)15-5-8-25-19(12-15)21(23,24)14(2)27-9-6-17(28)7-10-27/h3-4,7-10,18-19,36H,5-6,11-13H2,1-2H3,(H,31,34);3,6-9,12,16,18-19H,4-5,10-11H2,1-2H3,(H,29,32);3-6,9-10H,7-8,11H2,1-2H3,(H,29,31);3-5,8,11-12,17,28H,2,6-7,9-10H2,1H3,(H,26,29)/t;16?,18-,19?;;/m.1../s1.
What are the key properties of 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide has a molecular weight of 1848.87 g/mol, XLogP of 17.52, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5R)-3-acetyl-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-[3-hydroxy-3-(2-oxopropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;2-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 163510450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).