1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one

C22H21N3O3S — CID 126608836

IUPAC1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one
SMILESCc1cc(-c2cc3c(S(C)(=O)=O)cccc3n2Cc2ccccn2)cn(C)c1=O
InChIInChI=1S/C22H21N3O3S/c1-15-11-16(13-24(2)22(15)26)20-12-18-19(8-6-9-21(18)29(3,27)28)25(20)14-17-7-4-5-10-23-17/h4-13H,14H2,1-3H3
InChIKeyFNVKSJXWRPIMLM-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.16
Rot. Bonds4

About 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one

1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one (PubChem CID 126608836) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one
PubChem CID126608836
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one
SMILESCc1cc(-c2cc3c(S(C)(=O)=O)cccc3n2Cc2ccccn2)cn(C)c1=O
InChIInChI=1S/C22H21N3O3S/c1-15-11-16(13-24(2)22(15)26)20-12-18-19(8-6-9-21(18)29(3,27)28)25(20)14-17-7-4-5-10-23-17/h4-13H,14H2,1-3H3
InChIKeyFNVKSJXWRPIMLM-UHFFFAOYSA-N
XLogP3.16
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
CID 102503171
1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070485
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 146807908
5-amino-1-methyl-3-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
CID 55240714
6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356749
ethyl 9-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-3-carboxylate
CID 122187131
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191896
3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(pyridin-2-ylmethyl)quinazoline-6-sulfonamide
CID 121398719
[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl] fluoromethanesulfonate
CID 174471440
3-(aminomethyl)-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 107073142
5-[1-[(2E)-2-ethenylpenta-2,4-dienyl]benzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 142409674

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one (CID 126608836) is 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one is Cc1cc(-c2cc3c(S(C)(=O)=O)cccc3n2Cc2ccccn2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one?
The InChIKey is FNVKSJXWRPIMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-15-11-16(13-24(2)22(15)26)20-12-18-19(8-6-9-21(18)29(3,27)28)25(20)14-17-7-4-5-10-23-17/h4-13H,14H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one?
1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one has a molecular weight of 407.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one is sourced from PubChem (CID 126608836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).