N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran

C40H38Br2F4N8O8S2 — CID 158499929

IUPACN-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran
SMILESC1=COCCC1.CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(Br)cc23)c1F.CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F
InChIInChI=1S/C20H19BrF2N4O4S.C15H11BrF2N4O3S.C5H8O/c1-2-32(29,30)26-18-14(22)7-6-12(16(18)23)19(28)17-13-9-11(21)10-24-20(13)27(25-17)15-5-3-4-8-31-15;1-2-26(24,25)22-13-10(17)4-3-8(11(13)18)14(23)12-9-5-7(16)6-19-15(9)21-20-12;1-2-4-6-5-3-1/h6-7,9-10,15,26H,2-5,8H2,1H3;3-6,22H,2H2,1H3,(H,19,20,21);2,4H,1,3,5H2
InChIKeyHJTMJPMMAHCEPL-UHFFFAOYSA-N
MW1058.73 g/mol
LogP8.47
Rot. Bonds11

About N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran

N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran (PubChem CID 158499929) has the molecular formula C40H38Br2F4N8O8S2 and a molecular weight of 1058.73 g/mol. Its IUPAC name is N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran.

Molecular Properties

Compound NameN-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran
PubChem CID158499929
Molecular FormulaC40H38Br2F4N8O8S2
Molecular Weight1058.73 g/mol
Exact Mass1056.06
IUPAC NameN-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran
SMILESC1=COCCC1.CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(Br)cc23)c1F.CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F
InChIInChI=1S/C20H19BrF2N4O4S.C15H11BrF2N4O3S.C5H8O/c1-2-32(29,30)26-18-14(22)7-6-12(16(18)23)19(28)17-13-9-11(21)10-24-20(13)27(25-17)15-5-3-4-8-31-15;1-2-26(24,25)22-13-10(17)4-3-8(11(13)18)14(23)12-9-5-7(16)6-19-15(9)21-20-12;1-2-4-6-5-3-1/h6-7,9-10,15,26H,2-5,8H2,1H3;3-6,22H,2H2,1H3,(H,19,20,21);2,4H,1,3,5H2
InChIKeyHJTMJPMMAHCEPL-UHFFFAOYSA-N
XLogP8.47
TPSA217.22 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001058.73
LogP ≤ 58.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran with MolForge

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Related Compounds

5-Bromo-3-[3-[ethyl(sulfamoyl)amino]-2,6-difluorobenzoyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 139369538
[5-Bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-[3-(ethylsulfamoylamino)-2,6-difluorophenyl]methanone
CID 139369539
[5-Bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-[2,6-difluoro-3-(phenylsulfamoylamino)phenyl]methanone
CID 139369541
N-[3-[(5-Bromo-1H-pyrazolo[3,4-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]benzenemethanesulfonamide
CID 139369565
N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]methanesulfonamide
CID 139369584
N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide
CID 139369627
N-(3-(5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl)propane-1-sulfonamide
CID 139369630
N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide
CID 139369673
N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,4,6-trifluorophenyl]propane-1-sulfonamide
CID 139369674
N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide
CID 139369720
N-(3-(5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl)propane-1-sulfonamide
CID 139372115
N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]-1-phenylmethanesulfonamide
CID 139372125

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran?
The IUPAC name of N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran (CID 158499929) is N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran.
What is the SMILES notation for N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran?
The canonical SMILES for N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran is C1=COCCC1.CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(Br)cc23)c1F.CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2nn(C3CCCCO3)c3ncc(Br)cc23)c1F.
What is the InChIKey of N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran?
The InChIKey is HJTMJPMMAHCEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF2N4O4S.C15H11BrF2N4O3S.C5H8O/c1-2-32(29,30)26-18-14(22)7-6-12(16(18)23)19(28)17-13-9-11(21)10-24-20(13)27(25-17)15-5-3-4-8-31-15;1-2-26(24,25)22-13-10(17)4-3-8(11(13)18)14(23)12-9-5-7(16)6-19-15(9)21-20-12;1-2-4-6-5-3-1/h6-7,9-10,15,26H,2-5,8H2,1H3;3-6,22H,2H2,1H3,(H,19,20,21);2,4H,1,3,5H2.
What are the key properties of N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran?
N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran has a molecular weight of 1058.73 g/mol, XLogP of 8.47, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-3-carbonyl]-2,6-difluorophenyl]ethanesulfonamide;N-[3-(5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)-2,6-difluorophenyl]ethanesulfonamide;3,4-dihydro-2H-pyran is sourced from PubChem (CID 158499929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).