2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one

C21H18N6O3S — CID 168971064

IUPAC2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one
SMILESCc1ccc2nc(Cn3ccc4c(-c5cnn(S(C)(=O)=O)c5)cncc4c3=O)cn2c1
InChIInChI=1S/C21H18N6O3S/c1-14-3-4-20-24-16(13-26(20)10-14)12-25-6-5-17-18(8-22-9-19(17)21(25)28)15-7-23-27(11-15)31(2,29)30/h3-11,13H,12H2,1-2H3
InChIKeyMZHBVTRDVNGWNV-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.07
Rot. Bonds4

About 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one (PubChem CID 168971064) has the molecular formula C21H18N6O3S and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one
PubChem CID168971064
Molecular FormulaC21H18N6O3S
Molecular Weight434.48 g/mol
Exact Mass434.12
IUPAC Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one
SMILESCc1ccc2nc(Cn3ccc4c(-c5cnn(S(C)(=O)=O)c5)cncc4c3=O)cn2c1
InChIInChI=1S/C21H18N6O3S/c1-14-3-4-20-24-16(13-26(20)10-14)12-25-6-5-17-18(8-22-9-19(17)21(25)28)15-7-23-27(11-15)31(2,29)30/h3-11,13H,12H2,1-2H3
InChIKeyMZHBVTRDVNGWNV-UHFFFAOYSA-N
XLogP2.07
TPSA104.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-bromo-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168971066
5-hydroxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168970759
5-(2-fluorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168971104
ethane;5-(1H-indazol-7-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168970750
2-[[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one;ethane
CID 168971053
2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one
CID 176639786
5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
CID 168970873
2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one
CID 171801805
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-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
CID 168970918
5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
CID 168970995
2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 168970796

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one?
The IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one (CID 168971064) is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one is Cc1ccc2nc(Cn3ccc4c(-c5cnn(S(C)(=O)=O)c5)cncc4c3=O)cn2c1.
What is the InChIKey of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one?
The InChIKey is MZHBVTRDVNGWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3S/c1-14-3-4-20-24-16(13-26(20)10-14)12-25-6-5-17-18(8-22-9-19(17)21(25)28)15-7-23-27(11-15)31(2,29)30/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one?
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one has a molecular weight of 434.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 168971064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).