6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C117H125N17O15 — CID 157085700

About 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 157085700) has the molecular formula C117H125N17O15 and a molecular weight of 2009.39 g/mol. Its IUPAC name is 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 157085700
• Molecular Formula: C117H125N17O15
• Molecular Weight: 2009.39 g/mol
• Exact Mass: 2007.95
• IUPAC Name: 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN(CC)CC)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN(Cc1ccccc1)Cc1ccccc1)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1=NCCC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1=NCCCN1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(cc(CN3CCCC3)n2C)n1
• InChI: InChI=1S/C32H31N3O3.C22H27N3O3.C21H22N4O3.C21H24N4O3.C21H21N3O3/c1-3-24-16-28(32(37)38)31(36)33-30(24)25-14-15-29-27(17-25)26(20-34(29)2)21-35(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23;1-5-14-10-18(22(27)28)21(26)23-20(14)15-8-9-19-17(11-15)16(12-24(19)4)13-25(6-2)7-3;1-3-12-10-15(21(27)28)20(26)24-18(12)13-5-6-16-14(9-13)11-17(25(16)2)19-22-7-4-8-23-19;1-3-13-10-15(21(27)28)20(26)23-19(13)16-6-7-18-17(22-16)11-14(24(18)2)12-25-8-4-5-9-25;1-3-12-10-15(21(26)27)20(25)23-19(12)13-6-7-17-14(9-13)11-18(24(17)2)16-5-4-8-22-16/h4-17,20H,3,18-19,21H2,1-2H3,(H,33,36)(H,37,38);8-12H,5-7,13H2,1-4H3,(H,23,26)(H,27,28);5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)(H,24,26)(H,27,28);6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,23,26)(H,27,28);6-7,9-11H,3-5,8H2,1-2H3,(H,23,25)(H,26,27)
• InChIKey: AEBGTCPHWNOJRF-UHFFFAOYSA-N
• XLogP: 18.33
• TPSA: 434.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.39
LogP ≤ 5	18.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 157085700) is 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN(CC)CC)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN(Cc1ccccc1)Cc1ccccc1)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1=NCCC1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1=NCCCN1)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(cc(CN3CCCC3)n2C)n1.

What is the InChIKey of 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is AEBGTCPHWNOJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3.C22H27N3O3.C21H22N4O3.C21H24N4O3.C21H21N3O3/c1-3-24-16-28(32(37)38)31(36)33-30(24)25-14-15-29-27(17-25)26(20-34(29)2)21-35(18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23;1-5-14-10-18(22(27)28)21(26)23-20(14)15-8-9-19-17(11-15)16(12-24(19)4)13-25(6-2)7-3;1-3-12-10-15(21(27)28)20(26)24-18(12)13-5-6-16-14(9-13)11-17(25(16)2)19-22-7-4-8-23-19;1-3-13-10-15(21(27)28)20(26)23-19(13)16-6-7-18-17(22-16)11-14(24(18)2)12-25-8-4-5-9-25;1-3-12-10-15(21(26)27)20(25)23-19(12)13-6-7-17-14(9-13)11-18(24(17)2)16-5-4-8-22-16/h4-17,20H,3,18-19,21H2,1-2H3,(H,33,36)(H,37,38);8-12H,5-7,13H2,1-4H3,(H,23,26)(H,27,28);5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)(H,24,26)(H,27,28);6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,23,26)(H,27,28);6-7,9-11H,3-5,8H2,1-2H3,(H,23,25)(H,26,27).

What are the key properties of 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 2009.39 g/mol, XLogP of 18.33, 29 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(dibenzylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 157085700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).