3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

C194H197F3N12O21 — CID 158846749

IUPAC3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
SMILESCCc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.Cc1ccc(C)c(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)c1.O=C(O)c1ccncc1CCC1CCCc2cc(N3CCCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(N3CCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3C(F)(F)F)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(N3CCCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(N3CCc4ccccc43)ccc21
InChIInChI=1S/C27H28N2O2.C26H26N2O3.C26H26N2O2.C25H22F3NO3.C25H24N2O3.C25H25NO3.C20H23NO3.C20H23NO2/c30-27(31)25-14-15-28-18-22(25)11-10-19-6-3-7-21-17-23(12-13-24(19)21)29-16-4-8-20-5-1-2-9-26(20)29;29-26(30)23-11-13-27-17-20(23)8-7-18-12-15-31-25-16-21(9-10-22(18)25)28-14-3-5-19-4-1-2-6-24(19)28;29-26(30)24-12-14-27-17-21(24)9-8-18-5-3-6-20-16-22(10-11-23(18)20)28-15-13-19-4-1-2-7-25(19)28;26-25(27,28)22-6-1-2-7-23(22)32-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-29-13-12-21(18)24(30)31;28-25(29)22-9-12-26-16-19(22)6-5-17-11-14-30-24-15-20(7-8-21(17)24)27-13-10-18-3-1-2-4-23(18)27;1-16-3-4-17(2)23(13-16)19-7-8-21-18(10-12-29-24(21)14-19)5-6-20-15-26-11-9-22(20)25(27)28;1-13-16-5-3-4-14(17(16)8-9-19(13)24-2)6-7-15-12-21-11-10-18(15)20(22)23;1-2-14-6-9-18-15(4-3-5-16(18)12-14)7-8-17-13-21-11-10-19(17)20(22)23/h1-2,5,9,12-15,17-19H,3-4,6-8,10-11,16H2,(H,30,31);1-2,4,6,9-11,13,16-18H,3,5,7-8,12,14-15H2,(H,29,30);1-2,4,7,10-12,14,16-18H,3,5-6,8-9,13,15H2,(H,29,30);1-2,6-7,10-16H,3-5,8-9H2,(H,30,31);1-4,7-9,12,15-17H,5-6,10-11,13-14H2,(H,28,29);3-4,7-9,11,13-15,18H,5-6,10,12H2,1-2H3,(H,27,28);8-12,14H,3-7H2,1-2H3,(H,22,23);6,9-13,15H,2-5,7-8H2,1H3,(H,22,23)
InChIKeyIYXSPVCVASXBAE-UHFFFAOYSA-N
MW3089.77 g/mol
LogP42.53
Rot. Bonds41

About 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 158846749) has the molecular formula C194H197F3N12O21 and a molecular weight of 3089.77 g/mol. Its IUPAC name is 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
PubChem CID158846749
Molecular FormulaC194H197F3N12O21
Molecular Weight3089.77 g/mol
Exact Mass3087.47
IUPAC Name3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
SMILESCCc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.Cc1ccc(C)c(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)c1.O=C(O)c1ccncc1CCC1CCCc2cc(N3CCCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(N3CCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3C(F)(F)F)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(N3CCCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(N3CCc4ccccc43)ccc21
InChIInChI=1S/C27H28N2O2.C26H26N2O3.C26H26N2O2.C25H22F3NO3.C25H24N2O3.C25H25NO3.C20H23NO3.C20H23NO2/c30-27(31)25-14-15-28-18-22(25)11-10-19-6-3-7-21-17-23(12-13-24(19)21)29-16-4-8-20-5-1-2-9-26(20)29;29-26(30)23-11-13-27-17-20(23)8-7-18-12-15-31-25-16-21(9-10-22(18)25)28-14-3-5-19-4-1-2-6-24(19)28;29-26(30)24-12-14-27-17-21(24)9-8-18-5-3-6-20-16-22(10-11-23(18)20)28-15-13-19-4-1-2-7-25(19)28;26-25(27,28)22-6-1-2-7-23(22)32-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-29-13-12-21(18)24(30)31;28-25(29)22-9-12-26-16-19(22)6-5-17-11-14-30-24-15-20(7-8-21(17)24)27-13-10-18-3-1-2-4-23(18)27;1-16-3-4-17(2)23(13-16)19-7-8-21-18(10-12-29-24(21)14-19)5-6-20-15-26-11-9-22(20)25(27)28;1-13-16-5-3-4-14(17(16)8-9-19(13)24-2)6-7-15-12-21-11-10-18(15)20(22)23;1-2-14-6-9-18-15(4-3-5-16(18)12-14)7-8-17-13-21-11-10-19(17)20(22)23/h1-2,5,9,12-15,17-19H,3-4,6-8,10-11,16H2,(H,30,31);1-2,4,6,9-11,13,16-18H,3,5,7-8,12,14-15H2,(H,29,30);1-2,4,7,10-12,14,16-18H,3,5-6,8-9,13,15H2,(H,29,30);1-2,6-7,10-16H,3-5,8-9H2,(H,30,31);1-4,7-9,12,15-17H,5-6,10-11,13-14H2,(H,28,29);3-4,7-9,11,13-15,18H,5-6,10,12H2,1-2H3,(H,27,28);8-12,14H,3-7H2,1-2H3,(H,22,23);6,9-13,15H,2-5,7-8H2,1H3,(H,22,23)
InChIKeyIYXSPVCVASXBAE-UHFFFAOYSA-N
XLogP42.53
TPSA460.63 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds41
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003089.77
LogP ≤ 542.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (CID 158846749) is 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is CCc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.Cc1ccc(C)c(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)c1.O=C(O)c1ccncc1CCC1CCCc2cc(N3CCCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(N3CCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(Oc3ccccc3C(F)(F)F)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(N3CCCc4ccccc43)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(N3CCc4ccccc43)ccc21.
What is the InChIKey of 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The InChIKey is IYXSPVCVASXBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2.C26H26N2O3.C26H26N2O2.C25H22F3NO3.C25H24N2O3.C25H25NO3.C20H23NO3.C20H23NO2/c30-27(31)25-14-15-28-18-22(25)11-10-19-6-3-7-21-17-23(12-13-24(19)21)29-16-4-8-20-5-1-2-9-26(20)29;29-26(30)23-11-13-27-17-20(23)8-7-18-12-15-31-25-16-21(9-10-22(18)25)28-14-3-5-19-4-1-2-6-24(19)28;29-26(30)24-12-14-27-17-21(24)9-8-18-5-3-6-20-16-22(10-11-23(18)20)28-15-13-19-4-1-2-7-25(19)28;26-25(27,28)22-6-1-2-7-23(22)32-19-10-11-20-16(4-3-5-17(20)14-19)8-9-18-15-29-13-12-21(18)24(30)31;28-25(29)22-9-12-26-16-19(22)6-5-17-11-14-30-24-15-20(7-8-21(17)24)27-13-10-18-3-1-2-4-23(18)27;1-16-3-4-17(2)23(13-16)19-7-8-21-18(10-12-29-24(21)14-19)5-6-20-15-26-11-9-22(20)25(27)28;1-13-16-5-3-4-14(17(16)8-9-19(13)24-2)6-7-15-12-21-11-10-18(15)20(22)23;1-2-14-6-9-18-15(4-3-5-16(18)12-14)7-8-17-13-21-11-10-19(17)20(22)23/h1-2,5,9,12-15,17-19H,3-4,6-8,10-11,16H2,(H,30,31);1-2,4,6,9-11,13,16-18H,3,5,7-8,12,14-15H2,(H,29,30);1-2,4,7,10-12,14,16-18H,3,5-6,8-9,13,15H2,(H,29,30);1-2,6-7,10-16H,3-5,8-9H2,(H,30,31);1-4,7-9,12,15-17H,5-6,10-11,13-14H2,(H,28,29);3-4,7-9,11,13-15,18H,5-6,10,12H2,1-2H3,(H,27,28);8-12,14H,3-7H2,1-2H3,(H,22,23);6,9-13,15H,2-5,7-8H2,1H3,(H,22,23).
What are the key properties of 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 3089.77 g/mol, XLogP of 42.53, 41 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[7-(2,3-dihydroindol-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3,4-dihydro-2H-quinolin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[7-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158846749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).