7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one

C18H21N5O3S — CID 92595370

IUPAC7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one
SMILESCc1c(S(=O)(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cnn1C
InChIInChI=1S/C18H21N5O3S/c1-12-17(11-20-22(12)2)27(25,26)23-8-5-13(6-9-23)15-10-16-14(18(24)21-15)4-3-7-19-16/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,21,24)
InChIKeyHMWWYDYOXIJKJN-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.53
Rot. Bonds3

About 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one

7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 92595370) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one
PubChem CID92595370
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one
SMILESCc1c(S(=O)(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cnn1C
InChIInChI=1S/C18H21N5O3S/c1-12-17(11-20-22(12)2)27(25,26)23-8-5-13(6-9-23)15-10-16-14(18(24)21-15)4-3-7-19-16/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,21,24)
InChIKeyHMWWYDYOXIJKJN-UHFFFAOYSA-N
XLogP1.53
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one
CID 22931147
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92583326
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 168797680
7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92611469
7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92571730
7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92610698
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 110224108
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 168797626
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 168797619

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one (CID 92595370) is 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one is Cc1c(S(=O)(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cnn1C.
What is the InChIKey of 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is HMWWYDYOXIJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12-17(11-20-22(12)2)27(25,26)23-8-5-13(6-9-23)15-10-16-14(18(24)21-15)4-3-7-19-16/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,21,24).
What are the key properties of 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one?
7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 387.47 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 92595370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).