4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide

C18H22N6O2S — CID 156539257

IUPAC4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
SMILESCn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)cc(N3CCCC3)nc21
InChIInChI=1S/C18H22N6O2S/c1-23-18-15(12-21-23)16(10-17(22-18)24-8-2-3-9-24)20-11-13-4-6-14(7-5-13)27(19,25)26/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,20,22)(H2,19,25,26)
InChIKeyPRTUHDRIBBZBJU-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.83
Rot. Bonds5

About 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide

4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 156539257) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID156539257
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
SMILESCn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)cc(N3CCCC3)nc21
InChIInChI=1S/C18H22N6O2S/c1-23-18-15(12-21-23)16(10-17(22-18)24-8-2-3-9-24)20-11-13-4-6-14(7-5-13)27(19,25)26/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,20,22)(H2,19,25,26)
InChIKeyPRTUHDRIBBZBJU-UHFFFAOYSA-N
XLogP1.83
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide (CID 156539257) is 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide is Cn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)cc(N3CCCC3)nc21.
What is the InChIKey of 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is PRTUHDRIBBZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-23-18-15(12-21-23)16(10-17(22-18)24-8-2-3-9-24)20-11-13-4-6-14(7-5-13)27(19,25)26/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,20,22)(H2,19,25,26).
What are the key properties of 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 156539257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).