N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine

C100H101N11O15S8 — CID 167566463

IUPACN-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESC.C.C.C.C.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4ccco4)nc23)cc1.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4cccs4)nc23)cc1.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4ccoc4)nc23)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(Cc4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(NCc4cccs4)nc32)cc1
InChIInChI=1S/C19H17N3O2S2.2C19H16N2O4S.C19H16N2O3S2.C19H16N2O2S2.5CH4/c1-26(23,24)17-7-5-15(6-8-17)22-11-10-14-4-9-18(21-19(14)22)20-13-16-3-2-12-25-16;1-26(22,23)15-4-2-14(3-5-15)16-12-25-17-6-7-18(21-19(16)17)20-10-13-8-9-24-11-13;1-26(22,23)15-6-4-13(5-7-15)16-12-25-17-8-9-18(21-19(16)17)20-11-14-3-2-10-24-14;1-26(22,23)15-6-4-13(5-7-15)16-12-24-17-8-9-18(21-19(16)17)20-11-14-3-2-10-25-14;1-25(22,23)18-8-6-16(7-9-18)21-11-10-14-4-5-15(20-19(14)21)13-17-3-2-12-24-17;;;;;/h2-12H,13H2,1H3,(H,20,21);2-9,11-12H,10H2,1H3,(H,20,21);2*2-10,12H,11H2,1H3,(H,20,21);2-12H,13H2,1H3;5*1H4
InChIKeyFIQMUBZQLHFTII-UHFFFAOYSA-N
MW1953.51 g/mol
LogP24.14
Rot. Bonds24

About N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine

N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 167566463) has the molecular formula C100H101N11O15S8 and a molecular weight of 1953.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID167566463
Molecular FormulaC100H101N11O15S8
Molecular Weight1953.51 g/mol
Exact Mass1951.52
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESC.C.C.C.C.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4ccco4)nc23)cc1.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4cccs4)nc23)cc1.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4ccoc4)nc23)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(Cc4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(NCc4cccs4)nc32)cc1
InChIInChI=1S/C19H17N3O2S2.2C19H16N2O4S.C19H16N2O3S2.C19H16N2O2S2.5CH4/c1-26(23,24)17-7-5-15(6-8-17)22-11-10-14-4-9-18(21-19(14)22)20-13-16-3-2-12-25-16;1-26(22,23)15-4-2-14(3-5-15)16-12-25-17-6-7-18(21-19(16)17)20-10-13-8-9-24-11-13;1-26(22,23)15-6-4-13(5-7-15)16-12-25-17-8-9-18(21-19(16)17)20-11-14-3-2-10-24-14;1-26(22,23)15-6-4-13(5-7-15)16-12-24-17-8-9-18(21-19(16)17)20-11-14-3-2-10-25-14;1-25(22,23)18-8-6-16(7-9-18)21-11-10-14-4-5-15(20-19(14)21)13-17-3-2-12-24-17;;;;;/h2-12H,13H2,1H3,(H,20,21);2-9,11-12H,10H2,1H3,(H,20,21);2*2-10,12H,11H2,1H3,(H,20,21);2-12H,13H2,1H3;5*1H4
InChIKeyFIQMUBZQLHFTII-UHFFFAOYSA-N
XLogP24.14
TPSA358.83 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.51
LogP ≤ 524.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine (CID 167566463) is N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine is C.C.C.C.C.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4ccco4)nc23)cc1.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4cccs4)nc23)cc1.CS(=O)(=O)c1ccc(-c2coc3ccc(NCc4ccoc4)nc23)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(Cc4cccs4)nc32)cc1.CS(=O)(=O)c1ccc(-n2ccc3ccc(NCc4cccs4)nc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is FIQMUBZQLHFTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2.2C19H16N2O4S.C19H16N2O3S2.C19H16N2O2S2.5CH4/c1-26(23,24)17-7-5-15(6-8-17)22-11-10-14-4-9-18(21-19(14)22)20-13-16-3-2-12-25-16;1-26(22,23)15-4-2-14(3-5-15)16-12-25-17-6-7-18(21-19(16)17)20-10-13-8-9-24-11-13;1-26(22,23)15-6-4-13(5-7-15)16-12-25-17-8-9-18(21-19(16)17)20-11-14-3-2-10-24-14;1-26(22,23)15-6-4-13(5-7-15)16-12-24-17-8-9-18(21-19(16)17)20-11-14-3-2-10-25-14;1-25(22,23)18-8-6-16(7-9-18)21-11-10-14-4-5-15(20-19(14)21)13-17-3-2-12-24-17;;;;;/h2-12H,13H2,1H3,(H,20,21);2-9,11-12H,10H2,1H3,(H,20,21);2*2-10,12H,11H2,1H3,(H,20,21);2-12H,13H2,1H3;5*1H4.
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine?
N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 1953.51 g/mol, XLogP of 24.14, 24 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;N-(furan-3-ylmethyl)-3-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-5-amine;methane;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)furo[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167566463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).