1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile

C24H23BrN6O — CID 168971081

IUPAC1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2ccc3nc(Cn4ccc5c(Br)cncc5c4=O)cn3c2)CC1
InChIInChI=1S/C24H23BrN6O/c1-24(16-26)5-8-29(9-6-24)12-17-2-3-22-28-18(15-31(22)13-17)14-30-7-4-19-20(23(30)32)10-27-11-21(19)25/h2-4,7,10-11,13,15H,5-6,8-9,12,14H2,1H3
InChIKeyNCTDVCFZLFGLSB-UHFFFAOYSA-N
MW491.39 g/mol
LogP3.98
Rot. Bonds4

About 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile

1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile (PubChem CID 168971081) has the molecular formula C24H23BrN6O and a molecular weight of 491.39 g/mol. Its IUPAC name is 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile
PubChem CID168971081
Molecular FormulaC24H23BrN6O
Molecular Weight491.39 g/mol
Exact Mass490.11
IUPAC Name1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2ccc3nc(Cn4ccc5c(Br)cncc5c4=O)cn3c2)CC1
InChIInChI=1S/C24H23BrN6O/c1-24(16-26)5-8-29(9-6-24)12-17-2-3-22-28-18(15-31(22)13-17)14-30-7-4-19-20(23(30)32)10-27-11-21(19)25/h2-4,7,10-11,13,15H,5-6,8-9,12,14H2,1H3
InChIKeyNCTDVCFZLFGLSB-UHFFFAOYSA-N
XLogP3.98
TPSA79.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 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) is 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(Cc2ccc3nc(Cn4ccc5c(Br)cncc5c4=O)cn3c2)CC1.
What is the InChIKey of 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is NCTDVCFZLFGLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN6O/c1-24(16-26)5-8-29(9-6-24)12-17-2-3-22-28-18(15-31(22)13-17)14-30-7-4-19-20(23(30)32)10-27-11-21(19)25/h2-4,7,10-11,13,15H,5-6,8-9,12,14H2,1H3.
What are the key properties of 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile?
1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 491.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 168971081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).