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

C24H25BrN4O — CID 174345427

IUPAC5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
SMILESC[C@@H]1CCCCN1Cc1cc2ccc(Cn3ccc4c(Br)cncc4c3=O)cc2[nH]1
InChIInChI=1S/C24H25BrN4O/c1-16-4-2-3-8-28(16)15-19-11-18-6-5-17(10-23(18)27-19)14-29-9-7-20-21(24(29)30)12-26-13-22(20)25/h5-7,9-13,16,27H,2-4,8,14-15H2,1H3/t16-/m1/s1
InChIKeySDSKRNNHVWMFEU-MRXNPFEDSA-N
MW465.40 g/mol
LogP5.06
Rot. Bonds4

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

5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one (PubChem CID 174345427) has the molecular formula C24H25BrN4O and a molecular weight of 465.40 g/mol. Its IUPAC name is 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
PubChem CID174345427
Molecular FormulaC24H25BrN4O
Molecular Weight465.40 g/mol
Exact Mass464.12
IUPAC Name5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
SMILESC[C@@H]1CCCCN1Cc1cc2ccc(Cn3ccc4c(Br)cncc4c3=O)cc2[nH]1
InChIInChI=1S/C24H25BrN4O/c1-16-4-2-3-8-28(16)15-19-11-18-6-5-17(10-23(18)27-19)14-29-9-7-20-21(24(29)30)12-26-13-22(20)25/h5-7,9-13,16,27H,2-4,8,14-15H2,1H3/t16-/m1/s1
InChIKeySDSKRNNHVWMFEU-MRXNPFEDSA-N
XLogP5.06
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
CID 171801800
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-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one
CID 171801702
2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135980503
3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 118632997
4-bromo-3-[(2-methylazepan-1-yl)methyl]aniline
CID 115297750
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide
CID 167321974
4-imidazol-1-yl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 156523294
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
4-carbamimidoyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 167321951
4-bromo-3-[(2-methylpiperidin-1-yl)methyl]benzoic acid
CID 165458505
3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
CID 156503329

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one?
The IUPAC name of 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one (CID 174345427) is 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one is C[C@@H]1CCCCN1Cc1cc2ccc(Cn3ccc4c(Br)cncc4c3=O)cc2[nH]1.
What is the InChIKey of 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one?
The InChIKey is SDSKRNNHVWMFEU-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25BrN4O/c1-16-4-2-3-8-28(16)15-19-11-18-6-5-17(10-23(18)27-19)14-29-9-7-20-21(24(29)30)12-26-13-22(20)25/h5-7,9-13,16,27H,2-4,8,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one?
5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one has a molecular weight of 465.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 174345427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).