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

C18H13F2N5O4S2 — CID 56668710

IUPAC2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccs4)c3F)cc12
InChIInChI=1S/C18H13F2N5O4S2/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)
InChIKeyOJFLETZRJFAKKU-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.36
Rot. Bonds6

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

2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 56668710) has the molecular formula C18H13F2N5O4S2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID56668710
Molecular FormulaC18H13F2N5O4S2
Molecular Weight465.46 g/mol
Exact Mass465.04
IUPAC Name2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccs4)c3F)cc12
InChIInChI=1S/C18H13F2N5O4S2/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)
InChIKeyOJFLETZRJFAKKU-UHFFFAOYSA-N
XLogP3.36
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 56668710) is 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccs4)c3F)cc12.
What is the InChIKey of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is OJFLETZRJFAKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O4S2/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 465.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 56668710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).