N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C91H82F7N15O10 — CID 162242903

IUPACN,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)N(C)C)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)N(C)c3ccccc3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)NC)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)NC)[nH]c2N1c1ccc(OC(F)(F)F)cc1.CNC(=O)c1cc2ccc(=O)n(-c3cccc(O)c3)c2[nH]1
InChIInChI=1S/C23H18F3N3O2.C20H23N3O2.C17H14F3N3O2.C16H14FN3O.C15H13N3O3/c1-15-8-9-16-14-20(22(30)28(2)17-6-4-3-5-7-17)27-21(16)29(15)18-10-12-19(13-11-18)31-23(24,25)26;1-13(2)25-17-10-8-16(9-11-17)23-14(3)6-7-15-12-18(21-19(15)23)20(24)22(4)5;1-10-3-4-11-9-14(16(24)21-2)22-15(11)23(10)12-5-7-13(8-6-12)25-17(18,19)20;1-10-3-4-11-9-14(16(21)18-2)19-15(11)20(10)13-7-5-12(17)6-8-13;1-16-15(21)12-7-9-5-6-13(20)18(14(9)17-12)10-3-2-4-11(19)8-10/h3-14,27H,1H2,2H3;6-13,21H,3H2,1-2,4-5H3;3-9,22H,1H2,2H3,(H,21,24);3-9,19H,1H2,2H3,(H,18,21);2-8,17,19H,1H3,(H,16,21)
InChIKeyZWYBXDYZSHPCEL-UHFFFAOYSA-N
MW1678.74 g/mol
LogP18.58
Rot. Bonds15

About N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 162242903) has the molecular formula C91H82F7N15O10 and a molecular weight of 1678.74 g/mol. Its IUPAC name is N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID162242903
Molecular FormulaC91H82F7N15O10
Molecular Weight1678.74 g/mol
Exact Mass1677.63
IUPAC NameN,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)N(C)C)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)N(C)c3ccccc3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)NC)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)NC)[nH]c2N1c1ccc(OC(F)(F)F)cc1.CNC(=O)c1cc2ccc(=O)n(-c3cccc(O)c3)c2[nH]1
InChIInChI=1S/C23H18F3N3O2.C20H23N3O2.C17H14F3N3O2.C16H14FN3O.C15H13N3O3/c1-15-8-9-16-14-20(22(30)28(2)17-6-4-3-5-7-17)27-21(16)29(15)18-10-12-19(13-11-18)31-23(24,25)26;1-13(2)25-17-10-8-16(9-11-17)23-14(3)6-7-15-12-18(21-19(15)23)20(24)22(4)5;1-10-3-4-11-9-14(16(24)21-2)22-15(11)23(10)12-5-7-13(8-6-12)25-17(18,19)20;1-10-3-4-11-9-14(16(21)18-2)19-15(11)20(10)13-7-5-12(17)6-8-13;1-16-15(21)12-7-9-5-6-13(20)18(14(9)17-12)10-3-2-4-11(19)8-10/h3-14,27H,1H2,2H3;6-13,21H,3H2,1-2,4-5H3;3-9,22H,1H2,2H3,(H,21,24);3-9,19H,1H2,2H3,(H,18,21);2-8,17,19H,1H3,(H,16,21)
InChIKeyZWYBXDYZSHPCEL-UHFFFAOYSA-N
XLogP18.58
TPSA289.75 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001678.74
LogP ≤ 518.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)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,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 162242903) is N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)N(C)C)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)N(C)c3ccccc3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)NC)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)NC)[nH]c2N1c1ccc(OC(F)(F)F)cc1.CNC(=O)c1cc2ccc(=O)n(-c3cccc(O)c3)c2[nH]1.
What is the InChIKey of N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZWYBXDYZSHPCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2.C20H23N3O2.C17H14F3N3O2.C16H14FN3O.C15H13N3O3/c1-15-8-9-16-14-20(22(30)28(2)17-6-4-3-5-7-17)27-21(16)29(15)18-10-12-19(13-11-18)31-23(24,25)26;1-13(2)25-17-10-8-16(9-11-17)23-14(3)6-7-15-12-18(21-19(15)23)20(24)22(4)5;1-10-3-4-11-9-14(16(24)21-2)22-15(11)23(10)12-5-7-13(8-6-12)25-17(18,19)20;1-10-3-4-11-9-14(16(21)18-2)19-15(11)20(10)13-7-5-12(17)6-8-13;1-16-15(21)12-7-9-5-6-13(20)18(14(9)17-12)10-3-2-4-11(19)8-10/h3-14,27H,1H2,2H3;6-13,21H,3H2,1-2,4-5H3;3-9,22H,1H2,2H3,(H,21,24);3-9,19H,1H2,2H3,(H,18,21);2-8,17,19H,1H3,(H,16,21).
What are the key properties of N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 1678.74 g/mol, XLogP of 18.58, 15 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-N-methyl-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-hydroxyphenyl)-N-methyl-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 162242903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).