3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide

C15H17N5O3S — CID 156538960

IUPAC3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)ccc1CNc1ccnc2c1cnn2C
InChIInChI=1S/C15H17N5O3S/c1-20-15-12(9-19-20)13(5-6-17-15)18-8-10-3-4-11(24(16,21)22)7-14(10)23-2/h3-7,9H,8H2,1-2H3,(H,17,18)(H2,16,21,22)
InChIKeyPRHVWOACTFOGTP-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.24
Rot. Bonds5

About 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide

3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 156538960) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID156538960
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)ccc1CNc1ccnc2c1cnn2C
InChIInChI=1S/C15H17N5O3S/c1-20-15-12(9-19-20)13(5-6-17-15)18-8-10-3-4-11(24(16,21)22)7-14(10)23-2/h3-7,9H,8H2,1-2H3,(H,17,18)(H2,16,21,22)
InChIKeyPRHVWOACTFOGTP-UHFFFAOYSA-N
XLogP1.24
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

[3-fluoro-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]phenyl]sulfamic acid
CID 166060911
6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide
CID 156538991
4-[[[6-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-3-fluorobenzenesulfonamide
CID 156539056
4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide
CID 156539103
4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
CID 156539257
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine
CID 167938004
4-methoxyquinoline-6-sulfonamide
CID 170007480
3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
CID 60733892
3-[(4,5-dibromothiophen-2-yl)methylamino]-4-methoxybenzenesulfonamide
CID 102833850
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methoxybenzenesulfonamide
CID 43743967
4-[[[6-(2-aminoethylsulfanyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 156539668
CID 118692692
CID 118692692

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide (CID 156538960) is 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide is COc1cc(S(N)(=O)=O)ccc1CNc1ccnc2c1cnn2C.
What is the InChIKey of 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is PRHVWOACTFOGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-20-15-12(9-19-20)13(5-6-17-15)18-8-10-3-4-11(24(16,21)22)7-14(10)23-2/h3-7,9H,8H2,1-2H3,(H,17,18)(H2,16,21,22).
What are the key properties of 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 156538960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).