N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)

C69H50F6N10O10S3 — CID 158066663

IUPACN-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)
SMILESCOc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5cccc(C)c5)c4F)c3c2)cn1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1
InChIInChI=1S/C27H20F2N4O4S.2C21H15F2N3O3S/c1-15-4-3-5-18(10-15)38(35,36)33-22-8-7-21(28)24(25(22)29)26(34)20-14-32-27-19(20)11-17(13-31-27)16-6-9-23(37-2)30-12-16;2*1-12-4-2-5-13(10-12)30(28,29)26-17-8-7-16(22)18(19(17)23)20(27)15-11-25-21-14(15)6-3-9-24-21/h3-14,33H,1-2H3,(H,31,32);2*2-11,26H,1H3,(H,24,25)
InChIKeyFLHSUVQDOAVMPY-UHFFFAOYSA-N
MW1389.41 g/mol
LogP13.61
Rot. Bonds17

About N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)

N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide) (PubChem CID 158066663) has the molecular formula C69H50F6N10O10S3 and a molecular weight of 1389.41 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide).

Molecular Properties

Compound NameN-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)
PubChem CID158066663
Molecular FormulaC69H50F6N10O10S3
Molecular Weight1389.41 g/mol
Exact Mass1388.28
IUPAC NameN-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)
SMILESCOc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5cccc(C)c5)c4F)c3c2)cn1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1
InChIInChI=1S/C27H20F2N4O4S.2C21H15F2N3O3S/c1-15-4-3-5-18(10-15)38(35,36)33-22-8-7-21(28)24(25(22)29)26(34)20-14-32-27-19(20)11-17(13-31-27)16-6-9-23(37-2)30-12-16;2*1-12-4-2-5-13(10-12)30(28,29)26-17-8-7-16(22)18(19(17)23)20(27)15-11-25-21-14(15)6-3-9-24-21/h3-14,33H,1-2H3,(H,31,32);2*2-11,26H,1H3,(H,24,25)
InChIKeyFLHSUVQDOAVMPY-UHFFFAOYSA-N
XLogP13.61
TPSA297.88 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.41
LogP ≤ 513.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide) with MolForge

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Related Compounds

(N-[2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1 sulfonamide)
CID 58086298
N-[2,4-Difluoro-3-(4-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-3-fluoro-4-methoxy-benzenesulfonamide
CID 44512163
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-2-fluorobenzenesulfonamide
CID 49779043
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide
CID 49779044
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-fluorobenzenesulfonamide
CID 49779045
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-sulfonamide
CID 49779312
N-[3-[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 49779527
N-[3-[5-(2,6-dimethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 49779597
N-[2,4-difluoro-3-[5-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 49779912
N-[2,4-difluoro-3-[5-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 49779913
N-[2,4-difluoro-3-[5-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 49779915
N-[2,4-difluoro-3-[5-[6-(3-morpholin-4-ylpropoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 49779916

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)?
The IUPAC name of N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide) (CID 158066663) is N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide).
What is the SMILES notation for N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)?
The canonical SMILES for N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide) is COc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5cccc(C)c5)c4F)c3c2)cn1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)c1.
What is the InChIKey of N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)?
The InChIKey is FLHSUVQDOAVMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O4S.2C21H15F2N3O3S/c1-15-4-3-5-18(10-15)38(35,36)33-22-8-7-21(28)24(25(22)29)26(34)20-14-32-27-19(20)11-17(13-31-27)16-6-9-23(37-2)30-12-16;2*1-12-4-2-5-13(10-12)30(28,29)26-17-8-7-16(22)18(19(17)23)20(27)15-11-25-21-14(15)6-3-9-24-21/h3-14,33H,1-2H3,(H,31,32);2*2-11,26H,1H3,(H,24,25).
What are the key properties of N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide)?
N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide) has a molecular weight of 1389.41 g/mol, XLogP of 13.61, 17 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-methylbenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3-methylbenzenesulfonamide) is sourced from PubChem (CID 158066663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).