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

C18H24N6O2S — CID 156539103

IUPAC4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide
SMILESCCN(CC)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c2cnn(C)c2n1
InChIInChI=1S/C18H24N6O2S/c1-4-24(5-2)17-10-16(15-12-21-23(3)18(15)22-17)20-11-13-6-8-14(9-7-13)27(19,25)26/h6-10,12H,4-5,11H2,1-3H3,(H,20,22)(H2,19,25,26)
InChIKeyBHILHUYGKKQHCC-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.07
Rot. Bonds7

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

4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide (PubChem CID 156539103) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide
PubChem CID156539103
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide
SMILESCCN(CC)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c2cnn(C)c2n1
InChIInChI=1S/C18H24N6O2S/c1-4-24(5-2)17-10-16(15-12-21-23(3)18(15)22-17)20-11-13-6-8-14(9-7-13)27(19,25)26/h6-10,12H,4-5,11H2,1-3H3,(H,20,22)(H2,19,25,26)
InChIKeyBHILHUYGKKQHCC-UHFFFAOYSA-N
XLogP2.07
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide (CID 156539103) is 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide is CCN(CC)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c2cnn(C)c2n1.
What is the InChIKey of 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide?
The InChIKey is BHILHUYGKKQHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-4-24(5-2)17-10-16(15-12-21-23(3)18(15)22-17)20-11-13-6-8-14(9-7-13)27(19,25)26/h6-10,12H,4-5,11H2,1-3H3,(H,20,22)(H2,19,25,26).
What are the key properties of 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide?
4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide has a molecular weight of 388.50 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 156539103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).