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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate

C155H188F12N12O10 — CID 167616054

IUPAC4-[[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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate
SMILESCCc1cc2ncc(CN3CCN(CC4CCC(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.COC(=O)C1CCC(COc2cc(F)c([C@@H]3C4=C(C[C@@H](C)N3CC(C)(C)F)c3ccccc3C4)c(F)c2)CC1.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC3CCC(C=O)CC3)cc2F)N1CC(C)(C)F.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC3CCC(CO)CC3)cc2F)N1CC(C)(C)F
InChIInChI=1S/C46H56F3N5O2.C32H38F3NO3.C31H38F3NO2.C31H36F3NO2.C15H20N4O/c1-5-33-21-41-42(51-45(33)55)19-32(24-50-41)26-53-16-14-52(15-17-53)25-30-10-12-31(13-11-30)27-56-35-22-39(47)43(40(48)23-35)44-38-20-34-8-6-7-9-36(34)37(38)18-29(2)54(44)28-46(3,4)49;1-19-13-25-24-8-6-5-7-22(24)14-26(25)30(36(19)18-32(2,3)35)29-27(33)15-23(16-28(29)34)39-17-20-9-11-21(12-10-20)31(37)38-4;2*1-19-12-25-24-7-5-4-6-22(24)13-26(25)30(35(19)18-31(2,3)34)29-27(32)14-23(15-28(29)33)37-17-21-10-8-20(16-36)9-11-21;1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19/h6-9,19,21-24,29-31,44H,5,10-18,20,25-28H2,1-4H3,(H,51,55);5-8,15-16,19-21,30H,9-14,17-18H2,1-4H3;4-7,14-15,19-21,30,36H,8-13,16-18H2,1-3H3;4-7,14-16,19-21,30H,8-13,17-18H2,1-3H3;7-9,16H,2-6,10H2,1H3,(H,18,20)/t29-,30?,31?,44+;3*19-,20?,21?,30+;/m1111./s1
InChIKeyLTHNYJQECTYDFV-ULEXBYBISA-N
MW2607.26 g/mol
LogP31.04
Rot. Bonds35

About 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate

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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate (PubChem CID 167616054) has the molecular formula C155H188F12N12O10 and a molecular weight of 2607.26 g/mol. Its IUPAC name is 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate.

Molecular Properties

Compound Name4-[[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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate
PubChem CID167616054
Molecular FormulaC155H188F12N12O10
Molecular Weight2607.26 g/mol
Exact Mass2605.44
IUPAC Name4-[[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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate
SMILESCCc1cc2ncc(CN3CCN(CC4CCC(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.COC(=O)C1CCC(COc2cc(F)c([C@@H]3C4=C(C[C@@H](C)N3CC(C)(C)F)c3ccccc3C4)c(F)c2)CC1.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC3CCC(C=O)CC3)cc2F)N1CC(C)(C)F.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC3CCC(CO)CC3)cc2F)N1CC(C)(C)F
InChIInChI=1S/C46H56F3N5O2.C32H38F3NO3.C31H38F3NO2.C31H36F3NO2.C15H20N4O/c1-5-33-21-41-42(51-45(33)55)19-32(24-50-41)26-53-16-14-52(15-17-53)25-30-10-12-31(13-11-30)27-56-35-22-39(47)43(40(48)23-35)44-38-20-34-8-6-7-9-36(34)37(38)18-29(2)54(44)28-46(3,4)49;1-19-13-25-24-8-6-5-7-22(24)14-26(25)30(36(19)18-32(2,3)35)29-27(33)15-23(16-28(29)34)39-17-20-9-11-21(12-10-20)31(37)38-4;2*1-19-12-25-24-7-5-4-6-22(24)13-26(25)30(35(19)18-31(2,3)34)29-27(32)14-23(15-28(29)33)37-17-21-10-8-20(16-36)9-11-21;1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19/h6-9,19,21-24,29-31,44H,5,10-18,20,25-28H2,1-4H3,(H,51,55);5-8,15-16,19-21,30H,9-14,17-18H2,1-4H3;4-7,14-15,19-21,30,36H,8-13,16-18H2,1-3H3;4-7,14-16,19-21,30H,8-13,17-18H2,1-3H3;7-9,16H,2-6,10H2,1H3,(H,18,20)/t29-,30?,31?,44+;3*19-,20?,21?,30+;/m1111./s1
InChIKeyLTHNYJQECTYDFV-ULEXBYBISA-N
XLogP31.04
TPSA226.73 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002607.26
LogP ≤ 531.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate?
The IUPAC name of 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate (CID 167616054) is 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate.
What is the SMILES notation for 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate?
The canonical SMILES for 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate is CCc1cc2ncc(CN3CCN(CC4CCC(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.COC(=O)C1CCC(COc2cc(F)c([C@@H]3C4=C(C[C@@H](C)N3CC(C)(C)F)c3ccccc3C4)c(F)c2)CC1.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC3CCC(C=O)CC3)cc2F)N1CC(C)(C)F.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC3CCC(CO)CC3)cc2F)N1CC(C)(C)F.
What is the InChIKey of 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate?
The InChIKey is LTHNYJQECTYDFV-ULEXBYBISA-N. The full InChI is InChI=1S/C46H56F3N5O2.C32H38F3NO3.C31H38F3NO2.C31H36F3NO2.C15H20N4O/c1-5-33-21-41-42(51-45(33)55)19-32(24-50-41)26-53-16-14-52(15-17-53)25-30-10-12-31(13-11-30)27-56-35-22-39(47)43(40(48)23-35)44-38-20-34-8-6-7-9-36(34)37(38)18-29(2)54(44)28-46(3,4)49;1-19-13-25-24-8-6-5-7-22(24)14-26(25)30(36(19)18-32(2,3)35)29-27(33)15-23(16-28(29)34)39-17-20-9-11-21(12-10-20)31(37)38-4;2*1-19-12-25-24-7-5-4-6-22(24)13-26(25)30(35(19)18-31(2,3)34)29-27(32)14-23(15-28(29)33)37-17-21-10-8-20(16-36)9-11-21;1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19/h6-9,19,21-24,29-31,44H,5,10-18,20,25-28H2,1-4H3,(H,51,55);5-8,15-16,19-21,30H,9-14,17-18H2,1-4H3;4-7,14-15,19-21,30,36H,8-13,16-18H2,1-3H3;4-7,14-16,19-21,30H,8-13,17-18H2,1-3H3;7-9,16H,2-6,10H2,1H3,(H,18,20)/t29-,30?,31?,44+;3*19-,20?,21?,30+;/m1111./s1.
What are the key properties of 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate?
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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate has a molecular weight of 2607.26 g/mol, XLogP of 31.04, 35 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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-carbaldehyde;[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]cyclohexyl]methanol;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]cyclohexyl]methyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one;methyl 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-carboxylate is sourced from PubChem (CID 167616054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).