N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C52H42ClF3N6O5 — CID 160727323

IUPACN-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(C)C)cc1
InChIInChI=1S/C30H27N3O3.C22H15ClF3N3O2/c1-20(2)35-26-16-14-24(15-17-26)33-21(3)12-13-22-18-28(32-29(22)33)30(34)31-23-8-7-11-27(19-23)36-25-9-5-4-6-10-25;1-13-5-6-14-11-19(21(30)27-16-4-2-3-15(23)12-16)28-20(14)29(13)17-7-9-18(10-8-17)31-22(24,25)26/h4-20,32H,3H2,1-2H3,(H,31,34);2-12,28H,1H2,(H,27,30)
InChIKeyRTWNSRZUYBMFOD-UHFFFAOYSA-N
MW923.39 g/mol
LogP14.02
Rot. Bonds11

About N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 160727323) has the molecular formula C52H42ClF3N6O5 and a molecular weight of 923.39 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID160727323
Molecular FormulaC52H42ClF3N6O5
Molecular Weight923.39 g/mol
Exact Mass922.29
IUPAC NameN-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(C)C)cc1
InChIInChI=1S/C30H27N3O3.C22H15ClF3N3O2/c1-20(2)35-26-16-14-24(15-17-26)33-21(3)12-13-22-18-28(32-29(22)33)30(34)31-23-8-7-11-27(19-23)36-25-9-5-4-6-10-25;1-13-5-6-14-11-19(21(30)27-16-4-2-3-15(23)12-16)28-20(14)29(13)17-7-9-18(10-8-17)31-22(24,25)26/h4-20,32H,3H2,1-2H3,(H,31,34);2-12,28H,1H2,(H,27,30)
InChIKeyRTWNSRZUYBMFOD-UHFFFAOYSA-N
XLogP14.02
TPSA123.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.39
LogP ≤ 514.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 160727323) is N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is RTWNSRZUYBMFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3.C22H15ClF3N3O2/c1-20(2)35-26-16-14-24(15-17-26)33-21(3)12-13-22-18-28(32-29(22)33)30(34)31-23-8-7-11-27(19-23)36-25-9-5-4-6-10-25;1-13-5-6-14-11-19(21(30)27-16-4-2-3-15(23)12-16)28-20(14)29(13)17-7-9-18(10-8-17)31-22(24,25)26/h4-20,32H,3H2,1-2H3,(H,31,34);2-12,28H,1H2,(H,27,30).
What are the key properties of N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 923.39 g/mol, XLogP of 14.02, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 160727323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).