7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid

C26H28N4O3 — CID 171801787

IUPAC7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid
SMILESCC1CCN(Cc2cc3ccc(Cn4ccc5c(C(=O)O)cncc5c4=O)cc3[nH]2)C(C)C1
InChIInChI=1S/C26H28N4O3/c1-16-5-7-29(17(2)9-16)15-20-11-19-4-3-18(10-24(19)28-20)14-30-8-6-21-22(25(30)31)12-27-13-23(21)26(32)33/h3-4,6,8,10-13,16-17,28H,5,7,9,14-15H2,1-2H3,(H,32,33)
InChIKeyZXFXQPVYDSDKJV-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.24
Rot. Bonds5

About 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid

7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid (PubChem CID 171801787) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid
PubChem CID171801787
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid
SMILESCC1CCN(Cc2cc3ccc(Cn4ccc5c(C(=O)O)cncc5c4=O)cc3[nH]2)C(C)C1
InChIInChI=1S/C26H28N4O3/c1-16-5-7-29(17(2)9-16)15-20-11-19-4-3-18(10-24(19)28-20)14-30-8-6-21-22(25(30)31)12-27-13-23(21)26(32)33/h3-4,6,8,10-13,16-17,28H,5,7,9,14-15H2,1-2H3,(H,32,33)
InChIKeyZXFXQPVYDSDKJV-UHFFFAOYSA-N
XLogP4.24
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid with MolForge

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Related Compounds

5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
CID 174345427
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
CID 171801739
5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
CID 171801800
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one
CID 171801702
tert-butyl N-(cyclobutylmethyl)-N-[[6-[(5-ethynyl-1-oxo-2,7-naphthyridin-2-yl)methyl]-1H-indol-2-yl]methyl]carbamate
CID 171801795
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one
CID 171801821
2-methyl-3-(4-methylpiperidine-1-carbonyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-one
CID 20946776
4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883370
2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 62332325
3-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145764
3-[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-fluorophenyl]prop-2-enoic acid
CID 76939955
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62430351

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid (CID 171801787) is 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid is CC1CCN(Cc2cc3ccc(Cn4ccc5c(C(=O)O)cncc5c4=O)cc3[nH]2)C(C)C1.
What is the InChIKey of 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is ZXFXQPVYDSDKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16-5-7-29(17(2)9-16)15-20-11-19-4-3-18(10-24(19)28-20)14-30-8-6-21-22(25(30)31)12-27-13-23(21)26(32)33/h3-4,6,8,10-13,16-17,28H,5,7,9,14-15H2,1-2H3,(H,32,33).
What are the key properties of 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid?
7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 444.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 171801787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).