6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid

C23H27N3O4 — CID 71284783

IUPAC6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
SMILESCC(C)c1c(-c2ccc3c(c2)cc(CN(C)C2CC2)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C23H27N3O4/c1-12(2)18-20(24-22(28)19(21(18)27)23(29)30)13-5-8-17-14(9-13)10-16(26(17)4)11-25(3)15-6-7-15/h5,8-10,12,15H,6-7,11H2,1-4H3,(H,29,30)(H2,24,27,28)
InChIKeyIQRJYLKPMAOLCB-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.65
Rot. Bonds6

About 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid

6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid (PubChem CID 71284783) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
PubChem CID71284783
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid
SMILESCC(C)c1c(-c2ccc3c(c2)cc(CN(C)C2CC2)n3C)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C23H27N3O4/c1-12(2)18-20(24-22(28)19(21(18)27)23(29)30)13-5-8-17-14(9-13)10-16(26(17)4)11-25(3)15-6-7-15/h5,8-10,12,15H,6-7,11H2,1-4H3,(H,29,30)(H2,24,27,28)
InChIKeyIQRJYLKPMAOLCB-UHFFFAOYSA-N
XLogP3.65
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285334
6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118950983
6-[2-(diethylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951030
6-[2-[(cyclopropylmethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282046
5-ethyl-4-hydroxy-6-[2-[[2-methoxyethyl(methyl)amino]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285097
4-hydroxy-5-methyl-6-[1-methyl-2-[(2-methylpropylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284679
5-ethyl-4-hydroxy-6-[1-methyl-2-[[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284821
6-[2-[(cyclopentylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 71285410
6-[2-[(cyclohexylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 71284126
6-[2-[[(3aR,4R,7aS)-4-(dimethylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;dihydrochloride
CID 118951633
5-ethyl-4-hydroxy-6-[1-methyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284339
5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 136645539

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid (CID 71284783) is 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid is CC(C)c1c(-c2ccc3c(c2)cc(CN(C)C2CC2)n3C)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
The InChIKey is IQRJYLKPMAOLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-12(2)18-20(24-22(28)19(21(18)27)23(29)30)13-5-8-17-14(9-13)10-16(26(17)4)11-25(3)15-6-7-15/h5,8-10,12,15H,6-7,11H2,1-4H3,(H,29,30)(H2,24,27,28).
What are the key properties of 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid?
6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid has a molecular weight of 409.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[cyclopropyl(methyl)amino]methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).