6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C106H110FN15O20 — CID 158797935

IUPAC6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CN2CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CNCC2CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN2CCC2)cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C25H22FN3O4.2C21H23N3O4.C20H21N3O4.C19H21N3O4/c1-28-18(13-29-9-2-10-29)12-16-11-15(5-8-19(16)28)22-20(14-3-6-17(26)7-4-14)23(30)21(25(32)33)24(31)27-22;1-11-18(23-20(26)17(19(11)25)21(27)28)13-5-6-16-14(7-13)8-15(24(16)2)10-22-9-12-3-4-12;1-12-18(22-20(26)17(19(12)25)21(27)28)13-5-6-16-14(9-13)10-15(23(16)2)11-24-7-3-4-8-24;1-11-17(21-19(25)16(18(11)24)20(26)27)12-4-5-15-13(8-12)9-14(22(15)2)10-23-6-3-7-23;1-10-16(20-18(24)15(17(10)23)19(25)26)11-5-6-14-12(7-11)8-13(22(14)4)9-21(2)3/h3-8,11-12H,2,9-10,13H2,1H3,(H,32,33)(H2,27,30,31);5-8,12,22H,3-4,9-10H2,1-2H3,(H,27,28)(H2,23,25,26);5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H2,22,25,26);4-5,8-9H,3,6-7,10H2,1-2H3,(H,26,27)(H2,21,24,25);5-8H,9H2,1-4H3,(H,25,26)(H2,20,23,24)
InChIKeyITCFIMHRNHZYKY-UHFFFAOYSA-N
MW1933.13 g/mol
LogP14.30
Rot. Bonds23

About 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158797935) has the molecular formula C106H110FN15O20 and a molecular weight of 1933.13 g/mol. Its IUPAC name is 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID158797935
Molecular FormulaC106H110FN15O20
Molecular Weight1933.13 g/mol
Exact Mass1931.80
IUPAC Name6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CN2CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CNCC2CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN2CCC2)cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C25H22FN3O4.2C21H23N3O4.C20H21N3O4.C19H21N3O4/c1-28-18(13-29-9-2-10-29)12-16-11-15(5-8-19(16)28)22-20(14-3-6-17(26)7-4-14)23(30)21(25(32)33)24(31)27-22;1-11-18(23-20(26)17(19(11)25)21(27)28)13-5-6-16-14(7-13)8-15(24(16)2)10-22-9-12-3-4-12;1-12-18(22-20(26)17(19(12)25)21(27)28)13-5-6-16-14(9-13)10-15(23(16)2)11-24-7-3-4-8-24;1-11-17(21-19(25)16(18(11)24)20(26)27)12-4-5-15-13(8-12)9-14(22(15)2)10-23-6-3-7-23;1-10-16(20-18(24)15(17(10)23)19(25)26)11-5-6-14-12(7-11)8-13(22(14)4)9-21(2)3/h3-8,11-12H,2,9-10,13H2,1H3,(H,32,33)(H2,27,30,31);5-8,12,22H,3-4,9-10H2,1-2H3,(H,27,28)(H2,23,25,26);5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H2,22,25,26);4-5,8-9H,3,6-7,10H2,1-2H3,(H,26,27)(H2,21,24,25);5-8H,9H2,1-4H3,(H,25,26)(H2,20,23,24)
InChIKeyITCFIMHRNHZYKY-UHFFFAOYSA-N
XLogP14.30
TPSA501.59 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms142
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.13
LogP ≤ 514.30
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Analyze 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 158797935) is 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is Cc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CN2CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)cc(CNCC2CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN2CCC2)cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3-c3ccc(F)cc3)ccc21.
What is the InChIKey of 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ITCFIMHRNHZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4.2C21H23N3O4.C20H21N3O4.C19H21N3O4/c1-28-18(13-29-9-2-10-29)12-16-11-15(5-8-19(16)28)22-20(14-3-6-17(26)7-4-14)23(30)21(25(32)33)24(31)27-22;1-11-18(23-20(26)17(19(11)25)21(27)28)13-5-6-16-14(7-13)8-15(24(16)2)10-22-9-12-3-4-12;1-12-18(22-20(26)17(19(12)25)21(27)28)13-5-6-16-14(9-13)10-15(23(16)2)11-24-7-3-4-8-24;1-11-17(21-19(25)16(18(11)24)20(26)27)12-4-5-15-13(8-12)9-14(22(15)2)10-23-6-3-7-23;1-10-16(20-18(24)15(17(10)23)19(25)26)11-5-6-14-12(7-11)8-13(22(14)4)9-21(2)3/h3-8,11-12H,2,9-10,13H2,1H3,(H,32,33)(H2,27,30,31);5-8,12,22H,3-4,9-10H2,1-2H3,(H,27,28)(H2,23,25,26);5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,27,28)(H2,22,25,26);4-5,8-9H,3,6-7,10H2,1-2H3,(H,26,27)(H2,21,24,25);5-8H,9H2,1-4H3,(H,25,26)(H2,20,23,24).
What are the key properties of 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 1933.13 g/mol, XLogP of 14.30, 23 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158797935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).