6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C96H100N16O16 — CID 159740049

IUPAC6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(C#N)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(C(N)=O)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN(C)C)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CNCCN1C)n2C
InChIInChI=1S/C22H26N4O3.C20H23N3O3.C18H17N3O4.C18H19N3O3.C18H15N3O3/c1-4-13-10-16(22(28)29)21(27)24-20(13)14-5-6-17-15(9-14)11-18(26(17)3)19-12-23-7-8-25(19)2;1-5-12-8-16(20(25)26)19(24)21-18(12)13-6-7-17-15(9-13)14(10-22(2)3)11-23(17)4;1-3-9-6-12(18(24)25)17(23)20-15(9)10-4-5-14-11(7-10)13(16(19)22)8-21(14)2;2*1-3-10-6-14(18(23)24)17(22)20-16(10)11-4-5-15-13(7-11)12(8-19)9-21(15)2/h5-6,9-11,19,23H,4,7-8,12H2,1-3H3,(H,24,27)(H,28,29);6-9,11H,5,10H2,1-4H3,(H,21,24)(H,25,26);4-8H,3H2,1-2H3,(H2,19,22)(H,20,23)(H,24,25);4-7,9H,3,8,19H2,1-2H3,(H,20,22)(H,23,24);4-7,9H,3H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyNCILYXPZJWMORL-UHFFFAOYSA-N
MW1733.95 g/mol
LogP12.04
Rot. Bonds20

About 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 159740049) has the molecular formula C96H100N16O16 and a molecular weight of 1733.95 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID159740049
Molecular FormulaC96H100N16O16
Molecular Weight1733.95 g/mol
Exact Mass1732.75
IUPAC Name6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(C#N)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(C(N)=O)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN(C)C)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CNCCN1C)n2C
InChIInChI=1S/C22H26N4O3.C20H23N3O3.C18H17N3O4.C18H19N3O3.C18H15N3O3/c1-4-13-10-16(22(28)29)21(27)24-20(13)14-5-6-17-15(9-14)11-18(26(17)3)19-12-23-7-8-25(19)2;1-5-12-8-16(20(25)26)19(24)21-18(12)13-6-7-17-15(9-13)14(10-22(2)3)11-23(17)4;1-3-9-6-12(18(24)25)17(23)20-15(9)10-4-5-14-11(7-10)13(16(19)22)8-21(14)2;2*1-3-10-6-14(18(23)24)17(22)20-16(10)11-4-5-15-13(7-11)12(8-19)9-21(15)2/h5-6,9-11,19,23H,4,7-8,12H2,1-3H3,(H,24,27)(H,28,29);6-9,11H,5,10H2,1-4H3,(H,21,24)(H,25,26);4-8H,3H2,1-2H3,(H2,19,22)(H,20,23)(H,24,25);4-7,9H,3,8,19H2,1-2H3,(H,20,22)(H,23,24);4-7,9H,3H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyNCILYXPZJWMORL-UHFFFAOYSA-N
XLogP12.04
TPSA486.86 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001733.95
LogP ≤ 512.04
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Analyze 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118951152
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
6-[2-[[benzyl(methyl)amino]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1S)-1-phenylethyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1R)-1-phenylpropyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1S)-1-phenylpropyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(pyridin-2-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 157210146
methyl 3-(1-methylpyrrolidin-2-yl)-5-phenyl-1H-indole-7-carboxylate;methyl 5-phenyl-1H-indole-7-carboxylate;3-(1-methylpyrrolidin-2-yl)-5-phenyl-1H-indole-7-carboxamide;3-(1-methylpyrrolidin-2-yl)-5-phenyl-1H-indole-7-carboxylic acid
CID 157673512
(E)-2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-3-(1H-indol-3-yl)prop-2-enenitrile;tert-butyl 3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]indole-1-carboxylate;tert-butyl 3-formylindole-1-carboxylate;(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid
CID 157740277
4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 158177154
(E)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylbut-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2-methylpent-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(3S)-2,4,4,9-tetramethyl-1,3-dihydropyrido[3,4-b]indole-3-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
CID 158178710
6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 158370903
5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid
CID 158484357
6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 158546952
N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide
CID 158586897
3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide
CID 158613694

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 159740049) is 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(C#N)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(C(N)=O)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN(C)C)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(CN)cn2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(C1CNCCN1C)n2C.
What is the InChIKey of 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is NCILYXPZJWMORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.C20H23N3O3.C18H17N3O4.C18H19N3O3.C18H15N3O3/c1-4-13-10-16(22(28)29)21(27)24-20(13)14-5-6-17-15(9-14)11-18(26(17)3)19-12-23-7-8-25(19)2;1-5-12-8-16(20(25)26)19(24)21-18(12)13-6-7-17-15(9-13)14(10-22(2)3)11-23(17)4;1-3-9-6-12(18(24)25)17(23)20-15(9)10-4-5-14-11(7-10)13(16(19)22)8-21(14)2;2*1-3-10-6-14(18(23)24)17(22)20-16(10)11-4-5-15-13(7-11)12(8-19)9-21(15)2/h5-6,9-11,19,23H,4,7-8,12H2,1-3H3,(H,24,27)(H,28,29);6-9,11H,5,10H2,1-4H3,(H,21,24)(H,25,26);4-8H,3H2,1-2H3,(H2,19,22)(H,20,23)(H,24,25);4-7,9H,3,8,19H2,1-2H3,(H,20,22)(H,23,24);4-7,9H,3H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 1733.95 g/mol, XLogP of 12.04, 20 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-carbamoyl-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-(3-cyano-1-methylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-(1-methylpiperazin-2-yl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 159740049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).