(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

C17H24N6O3S — CID 163308956

IUPAC(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1nc2c(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)ccnc2n1C
InChIInChI=1S/C17H24N6O3S/c1-13-19-15-14(5-6-18-16(15)20(13)2)17(24)21-9-11-23(12-10-21)27(25,26)22-7-3-4-8-22/h5-6H,3-4,7-12H2,1-2H3
InChIKeyJSQPDPODNJQIJO-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.38
Rot. Bonds3

About (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 163308956) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID163308956
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1nc2c(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)ccnc2n1C
InChIInChI=1S/C17H24N6O3S/c1-13-19-15-14(5-6-18-16(15)20(13)2)17(24)21-9-11-23(12-10-21)27(25,26)22-7-3-4-8-22/h5-6H,3-4,7-12H2,1-2H3
InChIKeyJSQPDPODNJQIJO-UHFFFAOYSA-N
XLogP0.38
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone
CID 165425244
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 176500182
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 165420195
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170505766
(1,2-dimethylpyrrol-3-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 118770208
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraen-6-yl)methanone
CID 55653225
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
(2-iodophenyl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 38604389
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 157018822
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 55652947
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46976481

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone (CID 163308956) is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone is Cc1nc2c(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)ccnc2n1C.
What is the InChIKey of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is JSQPDPODNJQIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-13-19-15-14(5-6-18-16(15)20(13)2)17(24)21-9-11-23(12-10-21)27(25,26)22-7-3-4-8-22/h5-6H,3-4,7-12H2,1-2H3.
What are the key properties of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 392.49 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 163308956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).