2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate

C73H70N8O13S2 — CID 157410312

IUPAC2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2ccn(S(C)(=O)=O)c2c1.CS(=O)(=O)n1ccc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.NCc1cc(-c2cc(COc3ccccc3CC(=O)O)cc3c2C=CC3)ccn1
InChIInChI=1S/C25H25N3O5S.C24H23N3O5S.C24H22N2O3/c1-32-25(29)14-19-5-3-4-6-24(19)33-16-17-11-22(18-7-9-27-20(13-18)15-26)21-8-10-28(23(21)12-17)34(2,30)31;1-33(30,31)27-9-7-20-21(17-6-8-26-19(12-17)14-25)10-16(11-22(20)27)15-32-23-5-3-2-4-18(23)13-24(28)29;25-14-20-12-18(8-9-26-20)22-11-16(10-17-5-3-6-21(17)22)15-29-23-7-2-1-4-19(23)13-24(27)28/h3-13H,14-16,26H2,1-2H3;2-12H,13-15,25H2,1H3,(H,28,29);1-4,6-12H,5,13-15,25H2,(H,27,28)
InChIKeyBOEYZTUIEOXOAN-UHFFFAOYSA-N
MW1331.54 g/mol
LogP10.42
Rot. Bonds23

About 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate

2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate (PubChem CID 157410312) has the molecular formula C73H70N8O13S2 and a molecular weight of 1331.54 g/mol. Its IUPAC name is 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate.

Molecular Properties

Compound Name2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate
PubChem CID157410312
Molecular FormulaC73H70N8O13S2
Molecular Weight1331.54 g/mol
Exact Mass1330.45
IUPAC Name2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2ccn(S(C)(=O)=O)c2c1.CS(=O)(=O)n1ccc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.NCc1cc(-c2cc(COc3ccccc3CC(=O)O)cc3c2C=CC3)ccn1
InChIInChI=1S/C25H25N3O5S.C24H23N3O5S.C24H22N2O3/c1-32-25(29)14-19-5-3-4-6-24(19)33-16-17-11-22(18-7-9-27-20(13-18)15-26)21-8-10-28(23(21)12-17)34(2,30)31;1-33(30,31)27-9-7-20-21(17-6-8-26-19(12-17)14-25)10-16(11-22(20)27)15-32-23-5-3-2-4-18(23)13-24(28)29;25-14-20-12-18(8-9-26-20)22-11-16(10-17-5-3-6-21(17)22)15-29-23-7-2-1-4-19(23)13-24(27)28/h3-13H,14-16,26H2,1-2H3;2-12H,13-15,25H2,1H3,(H,28,29);1-4,6-12H,5,13-15,25H2,(H,27,28)
InChIKeyBOEYZTUIEOXOAN-UHFFFAOYSA-N
XLogP10.42
TPSA323.46 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.54
LogP ≤ 510.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[[4-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]phenyl]acetic acid
CID 139560874
2-[2-[[4-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561144
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561261
2-[2-[[4-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561290
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561598
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-1-propan-2-ylsulfonylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561684
2-[2-[[4-[3-(Aminomethyl)-2-fluorophenyl]-1-cyclopropylsulfonylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561738
2-[2-[[4-[2-(Aminomethyl)-3-fluoro-4-pyridinyl]-1-cyclopropylsulfonylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561747
2-(2-((4-(2-(aminomethyl)pyridin-4-yl)-1-isopropyl-1H-indol-6-yl)methoxy)-4-fluorophenyl)acetic Acid
CID 139560975
2-(2-((4-(2-(aminomethyl)pyridin-4-yl)-1-isopropyl-1H-indol-6-yl)methoxy)-5-fluorophenyl)acetic Acid
CID 139561427
2-[2-[[4-[2-(Aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid
CID 139560758
2-[2-[[4-[2-(Aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid
CID 139561157

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate?
The IUPAC name of 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate (CID 157410312) is 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate.
What is the SMILES notation for 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate?
The canonical SMILES for 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate is COC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2ccn(S(C)(=O)=O)c2c1.CS(=O)(=O)n1ccc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.NCc1cc(-c2cc(COc3ccccc3CC(=O)O)cc3c2C=CC3)ccn1.
What is the InChIKey of 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate?
The InChIKey is BOEYZTUIEOXOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S.C24H23N3O5S.C24H22N2O3/c1-32-25(29)14-19-5-3-4-6-24(19)33-16-17-11-22(18-7-9-27-20(13-18)15-26)21-8-10-28(23(21)12-17)34(2,30)31;1-33(30,31)27-9-7-20-21(17-6-8-26-19(12-17)14-25)10-16(11-22(20)27)15-32-23-5-3-2-4-18(23)13-24(28)29;25-14-20-12-18(8-9-26-20)22-11-16(10-17-5-3-6-21(17)22)15-29-23-7-2-1-4-19(23)13-24(27)28/h3-13H,14-16,26H2,1-2H3;2-12H,13-15,25H2,1H3,(H,28,29);1-4,6-12H,5,13-15,25H2,(H,27,28).
What are the key properties of 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate?
2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate has a molecular weight of 1331.54 g/mol, XLogP of 10.42, 23 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-3H-inden-5-yl]methoxy]phenyl]acetic acid;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;methyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylsulfonylindol-6-yl]methoxy]phenyl]acetate is sourced from PubChem (CID 157410312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).