7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one

C92H110F6N10O7 — CID 167544232

About 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one

7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one (PubChem CID 167544232) has the molecular formula C92H110F6N10O7 and a molecular weight of 1581.94 g/mol. Its IUPAC name is 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one.

Molecular Properties

• Compound Name: 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
• PubChem CID: 167544232
• Molecular Formula: C92H110F6N10O7
• Molecular Weight: 1581.94 g/mol
• Exact Mass: 1580.85
• IUPAC Name: 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
• SMILES: CCc1cc2ncc(CN3CCN(C(=O)C4CCC(COc5cc(F)c([C@@H]6C7=C(C[C@@H](C)N6CC(C)(C)F)c6ccccc6C7)c(F)c5)CC4)CC3)cc2[nH]c1=O.CCc1cc2ncc(CN3CCNCC3)cc2[nH]c1=O.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC3CCC(C(=O)O)CC3)cc2F)N1CC(C)(C)F
• InChI: InChI=1S/C46H54F3N5O3.C31H36F3NO3.C15H20N4O/c1-5-31-21-40-41(51-44(31)55)19-30(24-50-40)25-52-14-16-53(17-15-52)45(56)32-12-10-29(11-13-32)26-57-34-22-38(47)42(39(48)23-34)43-37-20-33-8-6-7-9-35(33)36(37)18-28(2)54(43)27-46(3,4)49;1-18-12-24-23-7-5-4-6-21(23)13-25(24)29(35(18)17-31(2,3)34)28-26(32)14-22(15-27(28)33)38-16-19-8-10-20(11-9-19)30(36)37;1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19/h6-9,19,21-24,28-29,32,43H,5,10-18,20,25-27H2,1-4H3,(H,51,55);4-7,14-15,18-20,29H,8-13,16-17H2,1-3H3,(H,36,37);7-9,16H,2-6,10H2,1H3,(H,18,20)/t28-,29?,32?,43+;18-,19?,20?,29+;/m11./s1
• InChIKey: BOUCMMLJUAFFQK-LCLCZQKISA-N
• XLogP: 16.21
• TPSA: 192.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1581.94
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one?

The IUPAC name of 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one (CID 167544232) is 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one.

What is the SMILES notation for 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one?

The canonical SMILES for 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(C(=O)C4CCC(COc5cc(F)c([C@@H]6C7=C(C[C@@H](C)N6CC(C)(C)F)c6ccccc6C7)c(F)c5)CC4)CC3)cc2[nH]c1=O.CCc1cc2ncc(CN3CCNCC3)cc2[nH]c1=O.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC3CCC(C(=O)O)CC3)cc2F)N1CC(C)(C)F.

What is the InChIKey of 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one?

The InChIKey is BOUCMMLJUAFFQK-LCLCZQKISA-N. The full InChI is InChI=1S/C46H54F3N5O3.C31H36F3NO3.C15H20N4O/c1-5-31-21-40-41(51-44(31)55)19-30(24-50-40)25-52-14-16-53(17-15-52)45(56)32-12-10-29(11-13-32)26-57-34-22-38(47)42(39(48)23-34)43-37-20-33-8-6-7-9-35(33)36(37)18-28(2)54(43)27-46(3,4)49;1-18-12-24-23-7-5-4-6-21(23)13-25(24)29(35(18)17-31(2,3)34)28-26(32)14-22(15-27(28)33)38-16-19-8-10-20(11-9-19)30(36)37;1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19/h6-9,19,21-24,28-29,32,43H,5,10-18,20,25-27H2,1-4H3,(H,51,55);4-7,14-15,18-20,29H,8-13,16-17H2,1-3H3,(H,36,37);7-9,16H,2-6,10H2,1H3,(H,18,20)/t28-,29?,32?,43+;18-,19?,20?,29+;/m11./s1.

What are the key properties of 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one?

7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one has a molecular weight of 1581.94 g/mol, XLogP of 16.21, 20 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexanecarbonyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;4-[[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]methyl]cyclohexane-1-carboxylic acid;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 167544232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).