5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one

C24H25BrN4O — CID 171801800

IUPAC5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(Br)c2ccn1Cc1ccc2cc(CCN3CCCCC3)[nH]c2c1
InChIInChI=1S/C24H25BrN4O/c25-22-15-26-14-21-20(22)7-11-29(24(21)30)16-17-4-5-18-13-19(27-23(18)12-17)6-10-28-8-2-1-3-9-28/h4-5,7,11-15,27H,1-3,6,8-10,16H2
InChIKeyZUDVMXQFRGQBTM-UHFFFAOYSA-N
MW465.40 g/mol
LogP4.72
Rot. Bonds5

About 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one

5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one (PubChem CID 171801800) has the molecular formula C24H25BrN4O and a molecular weight of 465.40 g/mol. Its IUPAC name is 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
PubChem CID171801800
Molecular FormulaC24H25BrN4O
Molecular Weight465.40 g/mol
Exact Mass464.12
IUPAC Name5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(Br)c2ccn1Cc1ccc2cc(CCN3CCCCC3)[nH]c2c1
InChIInChI=1S/C24H25BrN4O/c25-22-15-26-14-21-20(22)7-11-29(24(21)30)16-17-4-5-18-13-19(27-23(18)12-17)6-10-28-8-2-1-3-9-28/h4-5,7,11-15,27H,1-3,6,8-10,16H2
InChIKeyZUDVMXQFRGQBTM-UHFFFAOYSA-N
XLogP4.72
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one with MolForge

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Related Compounds

7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid
CID 171801787
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
CID 171801739
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one
CID 171801686
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-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179946
1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile
CID 168971081
5-bromo-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168971066
4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline
CID 122457747
1-[2-(1H-indol-2-yl)ethyl]piperidin-2-one
CID 14090373
N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 125481816
4-bromo-6-(bromomethyl)isoquinoline;4-bromo-6-[(5-nitroindol-1-yl)methyl]isoquinoline;5-nitro-1H-indole
CID 159762475

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one?
The IUPAC name of 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one (CID 171801800) is 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one is O=c1c2cncc(Br)c2ccn1Cc1ccc2cc(CCN3CCCCC3)[nH]c2c1.
What is the InChIKey of 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one?
The InChIKey is ZUDVMXQFRGQBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4O/c25-22-15-26-14-21-20(22)7-11-29(24(21)30)16-17-4-5-18-13-19(27-23(18)12-17)6-10-28-8-2-1-3-9-28/h4-5,7,11-15,27H,1-3,6,8-10,16H2.
What are the key properties of 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one?
5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one has a molecular weight of 465.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 171801800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).