1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one

C24H25N5O4S — CID 58379558

IUPAC1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)nc4c32)CC1
InChIInChI=1S/C24H25N5O4S/c1-15(30)28-12-10-17(11-13-28)29-23-21(27(2)24(29)31)14-25-20-9-8-19(26-22(20)23)16-4-6-18(7-5-16)34(3,32)33/h4-9,14,17H,10-13H2,1-3H3
InChIKeyMXRGRDUJLMZAIB-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.54
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379558) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379558
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)nc4c32)CC1
InChIInChI=1S/C24H25N5O4S/c1-15(30)28-12-10-17(11-13-28)29-23-21(27(2)24(29)31)14-25-20-9-8-19(26-22(20)23)16-4-6-18(7-5-16)34(3,32)33/h4-9,14,17H,10-13H2,1-3H3
InChIKeyMXRGRDUJLMZAIB-UHFFFAOYSA-N
XLogP2.54
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379558) is 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one is CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)nc4c32)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is MXRGRDUJLMZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-15(30)28-12-10-17(11-13-28)29-23-21(27(2)24(29)31)14-25-20-9-8-19(26-22(20)23)16-4-6-18(7-5-16)34(3,32)33/h4-9,14,17H,10-13H2,1-3H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 479.56 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(4-methylsulfonylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).