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

C17H18F2N6O4S — CID 56678886

IUPAC2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)NC(C)C)c3F)cc12
InChIInChI=1S/C17H18F2N6O4S/c1-8(2)24-30(27,28)25-12-5-4-11(18)13(14(12)19)16(26)21-9-6-10-15(20-7-9)22-23-17(10)29-3/h4-8,24-25H,1-3H3,(H,21,26)(H,20,22,23)
InChIKeyROIMUIOMYOGCIN-UHFFFAOYSA-N
MW440.43 g/mol
LogP2.15
Rot. Bonds7

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

2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide (PubChem CID 56678886) has the molecular formula C17H18F2N6O4S and a molecular weight of 440.43 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide
PubChem CID56678886
Molecular FormulaC17H18F2N6O4S
Molecular Weight440.43 g/mol
Exact Mass440.11
IUPAC Name2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)NC(C)C)c3F)cc12
InChIInChI=1S/C17H18F2N6O4S/c1-8(2)24-30(27,28)25-12-5-4-11(18)13(14(12)19)16(26)21-9-6-10-15(20-7-9)22-23-17(10)29-3/h4-8,24-25H,1-3H3,(H,21,26)(H,20,22,23)
InChIKeyROIMUIOMYOGCIN-UHFFFAOYSA-N
XLogP2.15
TPSA138.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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-(propan-2-ylsulfamoylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide (CID 56678886) is 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)NC(C)C)c3F)cc12.
What is the InChIKey of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide?
The InChIKey is ROIMUIOMYOGCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O4S/c1-8(2)24-30(27,28)25-12-5-4-11(18)13(14(12)19)16(26)21-9-6-10-15(20-7-9)22-23-17(10)29-3/h4-8,24-25H,1-3H3,(H,21,26)(H,20,22,23).
What are the key properties of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide?
2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(propan-2-ylsulfamoylamino)benzamide has a molecular weight of 440.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 4 hydrogen bond donors, and 6 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-(propan-2-ylsulfamoylamino)benzamide is sourced from PubChem (CID 56678886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).