ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C41H36FN7O7S2 — CID 144601861

IUPACethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC.CS(=O)(=O)c1cccc(NC(=O)c2cc3ccc(=O)n(-c4cccc(O)c4)c3[nH]2)c1.Cc1cnc(NC(=O)c2cc3ccc(=O)n(-c4ccc(F)cc4)c3[nH]2)s1
InChIInChI=1S/C21H17N3O5S.C18H13FN4O2S.C2H6/c1-30(28,29)17-7-2-4-14(11-17)22-21(27)18-10-13-8-9-19(26)24(20(13)23-18)15-5-3-6-16(25)12-15;1-10-9-20-18(26-10)22-17(25)14-8-11-2-7-15(24)23(16(11)21-14)13-5-3-12(19)4-6-13;1-2/h2-12,23,25H,1H3,(H,22,27);2-9,21H,1H3,(H,20,22,25);1-2H3
InChIKeyRORYGCKIRFWDCK-UHFFFAOYSA-N
MW821.91 g/mol
LogP7.18
Rot. Bonds7

About ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 144601861) has the molecular formula C41H36FN7O7S2 and a molecular weight of 821.91 g/mol. Its IUPAC name is ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID144601861
Molecular FormulaC41H36FN7O7S2
Molecular Weight821.91 g/mol
Exact Mass821.21
IUPAC Nameethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC.CS(=O)(=O)c1cccc(NC(=O)c2cc3ccc(=O)n(-c4cccc(O)c4)c3[nH]2)c1.Cc1cnc(NC(=O)c2cc3ccc(=O)n(-c4ccc(F)cc4)c3[nH]2)s1
InChIInChI=1S/C21H17N3O5S.C18H13FN4O2S.C2H6/c1-30(28,29)17-7-2-4-14(11-17)22-21(27)18-10-13-8-9-19(26)24(20(13)23-18)15-5-3-6-16(25)12-15;1-10-9-20-18(26-10)22-17(25)14-8-11-2-7-15(24)23(16(11)21-14)13-5-3-12(19)4-6-13;1-2/h2-12,23,25H,1H3,(H,22,27);2-9,21H,1H3,(H,20,22,25);1-2H3
InChIKeyRORYGCKIRFWDCK-UHFFFAOYSA-N
XLogP7.18
TPSA201.04 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500821.91
LogP ≤ 57.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 144601861) is ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CC.CS(=O)(=O)c1cccc(NC(=O)c2cc3ccc(=O)n(-c4cccc(O)c4)c3[nH]2)c1.Cc1cnc(NC(=O)c2cc3ccc(=O)n(-c4ccc(F)cc4)c3[nH]2)s1.
What is the InChIKey of ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is RORYGCKIRFWDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S.C18H13FN4O2S.C2H6/c1-30(28,29)17-7-2-4-14(11-17)22-21(27)18-10-13-8-9-19(26)24(20(13)23-18)15-5-3-6-16(25)12-15;1-10-9-20-18(26-10)22-17(25)14-8-11-2-7-15(24)23(16(11)21-14)13-5-3-12(19)4-6-13;1-2/h2-12,23,25H,1H3,(H,22,27);2-9,21H,1H3,(H,20,22,25);1-2H3.
What are the key properties of ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 821.91 g/mol, XLogP of 7.18, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-(3-methylsulfonylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 144601861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).