3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C16H16F2N6O4S — CID 56661796

IUPAC3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCCNS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
InChIInChI=1S/C16H16F2N6O4S/c1-3-20-29(26,27)24-11-5-4-10(17)12(13(11)18)15(25)21-8-6-9-14(19-7-8)22-23-16(9)28-2/h4-7,20,24H,3H2,1-2H3,(H,21,25)(H,19,22,23)
InChIKeyRTDVZLFSPUOPPQ-UHFFFAOYSA-N
MW426.41 g/mol
LogP1.76
Rot. Bonds7

About 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 56661796) has the molecular formula C16H16F2N6O4S and a molecular weight of 426.41 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID56661796
Molecular FormulaC16H16F2N6O4S
Molecular Weight426.41 g/mol
Exact Mass426.09
IUPAC Name3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCCNS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
InChIInChI=1S/C16H16F2N6O4S/c1-3-20-29(26,27)24-11-5-4-10(17)12(13(11)18)15(25)21-8-6-9-14(19-7-8)22-23-16(9)28-2/h4-7,20,24H,3H2,1-2H3,(H,21,25)(H,19,22,23)
InChIKeyRTDVZLFSPUOPPQ-UHFFFAOYSA-N
XLogP1.76
TPSA138.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 56661796) is 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is CCNS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F.
What is the InChIKey of 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is RTDVZLFSPUOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O4S/c1-3-20-29(26,27)24-11-5-4-10(17)12(13(11)18)15(25)21-8-6-9-14(19-7-8)22-23-16(9)28-2/h4-7,20,24H,3H2,1-2H3,(H,21,25)(H,19,22,23).
What are the key properties of 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 426.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56661796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).