N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C34H30F2N6O7S2 — CID 138710286

IUPACN-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(-c3ncc(CN4CCO[C@H](C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C34H30F2N6O7S2/c1-21-19-41(10-11-48-21)20-25-17-38-33(49-25)27-12-22(14-31-28(27)18-39-42(31)51(45,46)26-6-4-3-5-7-26)23-13-30(34(47-2)37-16-23)40-50(43,44)32-9-8-24(35)15-29(32)36/h3-9,12-18,21,40H,10-11,19-20H2,1-2H3/t21-/m1/s1
InChIKeyQSNPDKRDIZFWNG-OAQYLSRUSA-N
MW736.78 g/mol
LogP5.30
Rot. Bonds10

About N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 138710286) has the molecular formula C34H30F2N6O7S2 and a molecular weight of 736.78 g/mol. Its IUPAC name is N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID138710286
Molecular FormulaC34H30F2N6O7S2
Molecular Weight736.78 g/mol
Exact Mass736.16
IUPAC NameN-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(-c3ncc(CN4CCO[C@H](C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C34H30F2N6O7S2/c1-21-19-41(10-11-48-21)20-25-17-38-33(49-25)27-12-22(14-31-28(27)18-39-42(31)51(45,46)26-6-4-3-5-7-26)23-13-30(34(47-2)37-16-23)40-50(43,44)32-9-8-24(35)15-29(32)36/h3-9,12-18,21,40H,10-11,19-20H2,1-2H3/t21-/m1/s1
InChIKeyQSNPDKRDIZFWNG-OAQYLSRUSA-N
XLogP5.30
TPSA158.75 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.78
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 138710286) is N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc(-c3ncc(CN4CCO[C@H](C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is QSNPDKRDIZFWNG-OAQYLSRUSA-N. The full InChI is InChI=1S/C34H30F2N6O7S2/c1-21-19-41(10-11-48-21)20-25-17-38-33(49-25)27-12-22(14-31-28(27)18-39-42(31)51(45,46)26-6-4-3-5-7-26)23-13-30(34(47-2)37-16-23)40-50(43,44)32-9-8-24(35)15-29(32)36/h3-9,12-18,21,40H,10-11,19-20H2,1-2H3/t21-/m1/s1.
What are the key properties of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 736.78 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 138710286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).