2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide

C22H22FN5O3S — CID 11374470

IUPAC2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)C)c(F)c4)cc3[nH]2)c1
InChIInChI=1S/C22H22FN5O3S/c1-28(2)32(29,30)20-6-4-14(10-18(20)23)15-11-19-22(25-13-15)27-21(26-19)7-5-16-12-17(31-3)8-9-24-16/h4,6,8-13H,5,7H2,1-3H3,(H,25,26,27)
InChIKeyXWGDMTGOPSKBJX-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.20
Rot. Bonds7

About 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide

2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 11374470) has the molecular formula C22H22FN5O3S and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID11374470
Molecular FormulaC22H22FN5O3S
Molecular Weight455.52 g/mol
Exact Mass455.14
IUPAC Name2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)C)c(F)c4)cc3[nH]2)c1
InChIInChI=1S/C22H22FN5O3S/c1-28(2)32(29,30)20-6-4-14(10-18(20)23)15-11-19-22(25-13-15)27-21(26-19)7-5-16-12-17(31-3)8-9-24-16/h4,6,8-13H,5,7H2,1-3H3,(H,25,26,27)
InChIKeyXWGDMTGOPSKBJX-UHFFFAOYSA-N
XLogP3.20
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide (CID 11374470) is 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N(C)C)c(F)c4)cc3[nH]2)c1.
What is the InChIKey of 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XWGDMTGOPSKBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3S/c1-28(2)32(29,30)20-6-4-14(10-18(20)23)15-11-19-22(25-13-15)27-21(26-19)7-5-16-12-17(31-3)8-9-24-16/h4,6,8-13H,5,7H2,1-3H3,(H,25,26,27).
What are the key properties of 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide?
2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 455.52 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 11374470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).