1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide

C19H23N5O3S — CID 170319323

IUPAC1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide
SMILESCOc1cccc(C)c1-n1cc2cnc(N3CC(S(=O)(=O)N(C)C)C3)cc2n1
InChIInChI=1S/C19H23N5O3S/c1-13-6-5-7-17(27-4)19(13)24-10-14-9-20-18(8-16(14)21-24)23-11-15(12-23)28(25,26)22(2)3/h5-10,15H,11-12H2,1-4H3
InChIKeyLUJKMEIZGDEJBX-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide

1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide (PubChem CID 170319323) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide
PubChem CID170319323
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide
SMILESCOc1cccc(C)c1-n1cc2cnc(N3CC(S(=O)(=O)N(C)C)C3)cc2n1
InChIInChI=1S/C19H23N5O3S/c1-13-6-5-7-17(27-4)19(13)24-10-14-9-20-18(8-16(14)21-24)23-11-15(12-23)28(25,26)22(2)3/h5-10,15H,11-12H2,1-4H3
InChIKeyLUJKMEIZGDEJBX-UHFFFAOYSA-N
XLogP1.82
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-1-(3-methyl-2-phenylpyrazolo[4,3-c]pyridin-6-yl)azetidine-3-sulfonamide
CID 170319361
1-[2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N-methylazetidine-3-sulfonamide
CID 170319319
6-chloro-2-(2-methoxy-6-methylphenyl)pyrazolo[3,4-d]pyrimidine
CID 176905818
1-[3-cyclopropyl-2-(4-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide
CID 170319364
1-(2-methoxy-6-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 171826299
(2S,6S)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271146
(2R,6R)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271148
N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide
CID 50840508
N-[6-[[5-bromo-2-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-methylanilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylcyclopropanesulfonamide
CID 169278228
2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905785
4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 11046339
3-(6-cyclopropylpyrimidin-4-yl)-6-(3,4-dimethoxyphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
CID 172906372

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide?
The IUPAC name of 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide (CID 170319323) is 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide?
The canonical SMILES for 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide is COc1cccc(C)c1-n1cc2cnc(N3CC(S(=O)(=O)N(C)C)C3)cc2n1.
What is the InChIKey of 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide?
The InChIKey is LUJKMEIZGDEJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-13-6-5-7-17(27-4)19(13)24-10-14-9-20-18(8-16(14)21-24)23-11-15(12-23)28(25,26)22(2)3/h5-10,15H,11-12H2,1-4H3.
What are the key properties of 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide?
1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-6-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]-N,N-dimethylazetidine-3-sulfonamide is sourced from PubChem (CID 170319323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).