N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 160908289) has the molecular formula C95H75F7N12O10S and a molecular weight of 1709.77 g/mol. Its IUPAC name is N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name	N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID	160908289
Molecular Formula	C95H75F7N12O10S
Molecular Weight	1709.77 g/mol
Exact Mass	1708.53
IUPAC Name	N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILES	C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)NCc4ccccc4)[nH]c32)c1
InChI	InChI=1S/C28H20F3N3O2.C23H18F3N3O4S.C22H18FN3O2.C22H19N3O2/c1-18-10-11-19-16-25(33-26(19)34(18)22-14-12-20(13-15-22)28(29,30)31)27(35)32-21-6-5-9-24(17-21)36-23-7-3-2-4-8-23;1-14-6-7-15-12-20(22(30)27-16-4-3-5-19(13-16)34(2,31)32)28-21(15)29(14)17-8-10-18(11-9-17)33-23(24,25)26;1-14-6-7-15-12-20(22(27)24-17-4-3-5-19(13-17)28-2)25-21(15)26(14)18-10-8-16(23)9-11-18;1-15-6-5-9-18(12-15)25-20(26)11-10-17-13-19(24-21(17)25)22(27)23-14-16-7-3-2-4-8-16/h2-17,33H,1H2,(H,32,35);3-13,28H,1H2,2H3,(H,27,30);3-13,25H,1H2,2H3,(H,24,27);2-13,24H,14H2,1H3,(H,23,27)
InChIKey	SQKXGIUWADHGFN-UHFFFAOYSA-N
XLogP	21.65
TPSA	273.11 Å²
H-Bond Donors	8
H-Bond Acceptors	14
Rotatable Bonds	18
Heavy Atoms	125
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1709.77
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Analyze N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 160908289) is N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)NCc4ccccc4)[nH]c32)c1.

What is the InChIKey of N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is SQKXGIUWADHGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O2.C23H18F3N3O4S.C22H18FN3O2.C22H19N3O2/c1-18-10-11-19-16-25(33-26(19)34(18)22-14-12-20(13-15-22)28(29,30)31)27(35)32-21-6-5-9-24(17-21)36-23-7-3-2-4-8-23;1-14-6-7-15-12-20(22(30)27-16-4-3-5-19(13-16)34(2,31)32)28-21(15)29(14)17-8-10-18(11-9-17)33-23(24,25)26;1-14-6-7-15-12-20(22(27)24-17-4-3-5-19(13-17)28-2)25-21(15)26(14)18-10-8-16(23)9-11-18;1-15-6-5-9-18(12-15)25-20(26)11-10-17-13-19(24-21(17)25)22(27)23-14-16-7-3-2-4-8-16/h2-17,33H,1H2,(H,32,35);3-13,28H,1H2,2H3,(H,27,30);3-13,25H,1H2,2H3,(H,24,27);2-13,24H,14H2,1H3,(H,23,27).

What are the key properties of N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

Where does this data come from?

All data for N-benzyl-7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-methylsulfonylphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 160908289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).