6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

C109H129Cl2N15O16 — CID 157151745

IUPAC6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(C)C)n(C)c2cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(C)C)n(C)c2cc1Cl.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(CC)CC)n(C)c2cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(CC)CC)n(C)c2cc1Cl.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN3CCOCC3)n(C)c2cc1C
InChIInChI=1S/C23H27N3O4.C23H29N3O3.C22H26ClN3O3.C21H25N3O3.C20H22ClN3O3/c1-4-15-11-19(23(28)29)22(27)24-21(15)18-12-16-10-17(13-26-5-7-30-8-6-26)25(3)20(16)9-14(18)2;1-6-15-11-19(23(28)29)22(27)24-21(15)18-12-16-10-17(13-26(7-2)8-3)25(5)20(16)9-14(18)4;1-5-13-9-17(22(28)29)21(27)24-20(13)16-10-14-8-15(12-26(6-2)7-3)25(4)19(14)11-18(16)23;1-6-13-9-17(21(26)27)20(25)22-19(13)16-10-14-8-15(11-23(3)4)24(5)18(14)7-12(16)2;1-5-11-7-15(20(26)27)19(25)22-18(11)14-8-12-6-13(10-23(2)3)24(4)17(12)9-16(14)21/h9-12H,4-8,13H2,1-3H3,(H,24,27)(H,28,29);9-12H,6-8,13H2,1-5H3,(H,24,27)(H,28,29);8-11H,5-7,12H2,1-4H3,(H,24,27)(H,28,29);7-10H,6,11H2,1-5H3,(H,22,25)(H,26,27);6-9H,5,10H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyALIJGTJGARDJHK-UHFFFAOYSA-N
MW1976.23 g/mol
LogP17.84
Rot. Bonds29

About 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 157151745) has the molecular formula C109H129Cl2N15O16 and a molecular weight of 1976.23 g/mol. Its IUPAC name is 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID157151745
Molecular FormulaC109H129Cl2N15O16
Molecular Weight1976.23 g/mol
Exact Mass1973.91
IUPAC Name6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(C)C)n(C)c2cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(C)C)n(C)c2cc1Cl.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(CC)CC)n(C)c2cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(CC)CC)n(C)c2cc1Cl.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN3CCOCC3)n(C)c2cc1C
InChIInChI=1S/C23H27N3O4.C23H29N3O3.C22H26ClN3O3.C21H25N3O3.C20H22ClN3O3/c1-4-15-11-19(23(28)29)22(27)24-21(15)18-12-16-10-17(13-26-5-7-30-8-6-26)25(3)20(16)9-14(18)2;1-6-15-11-19(23(28)29)22(27)24-21(15)18-12-16-10-17(13-26(7-2)8-3)25(5)20(16)9-14(18)4;1-5-13-9-17(22(28)29)21(27)24-20(13)16-10-14-8-15(12-26(6-2)7-3)25(4)19(14)11-18(16)23;1-6-13-9-17(21(26)27)20(25)22-19(13)16-10-14-8-15(11-23(3)4)24(5)18(14)7-12(16)2;1-5-11-7-15(20(26)27)19(25)22-18(11)14-8-12-6-13(10-23(2)3)24(4)17(12)9-16(14)21/h9-12H,4-8,13H2,1-3H3,(H,24,27)(H,28,29);9-12H,6-8,13H2,1-5H3,(H,24,27)(H,28,29);8-11H,5-7,12H2,1-4H3,(H,24,27)(H,28,29);7-10H,6,11H2,1-5H3,(H,22,25)(H,26,27);6-9H,5,10H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyALIJGTJGARDJHK-UHFFFAOYSA-N
XLogP17.84
TPSA400.88 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001976.23
LogP ≤ 517.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 157151745) is 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(C)C)n(C)c2cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(C)C)n(C)c2cc1Cl.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(CC)CC)n(C)c2cc1C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN(CC)CC)n(C)c2cc1Cl.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN3CCOCC3)n(C)c2cc1C.
What is the InChIKey of 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ALIJGTJGARDJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4.C23H29N3O3.C22H26ClN3O3.C21H25N3O3.C20H22ClN3O3/c1-4-15-11-19(23(28)29)22(27)24-21(15)18-12-16-10-17(13-26-5-7-30-8-6-26)25(3)20(16)9-14(18)2;1-6-15-11-19(23(28)29)22(27)24-21(15)18-12-16-10-17(13-26(7-2)8-3)25(5)20(16)9-14(18)4;1-5-13-9-17(22(28)29)21(27)24-20(13)16-10-14-8-15(12-26(6-2)7-3)25(4)19(14)11-18(16)23;1-6-13-9-17(21(26)27)20(25)22-19(13)16-10-14-8-15(11-23(3)4)24(5)18(14)7-12(16)2;1-5-11-7-15(20(26)27)19(25)22-18(11)14-8-12-6-13(10-23(2)3)24(4)17(12)9-16(14)21/h9-12H,4-8,13H2,1-3H3,(H,24,27)(H,28,29);9-12H,6-8,13H2,1-5H3,(H,24,27)(H,28,29);8-11H,5-7,12H2,1-4H3,(H,24,27)(H,28,29);7-10H,6,11H2,1-5H3,(H,22,25)(H,26,27);6-9H,5,10H2,1-4H3,(H,22,25)(H,26,27).
What are the key properties of 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 1976.23 g/mol, XLogP of 17.84, 29 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[6-chloro-2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(diethylaminomethyl)-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1,6-dimethylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 157151745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).