N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H18F3N3O3 — CID 89134284

IUPACN-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H18F3N3O3/c1-14-6-7-15-12-20(22(30)27-16-4-3-5-19(13-16)31-2)28-21(15)29(14)17-8-10-18(11-9-17)32-23(24,25)26/h3-13,28H,1H2,2H3,(H,27,30)
InChIKeyDCHACTIBBJXZJQ-UHFFFAOYSA-N
MW441.41 g/mol
LogP5.85
Rot. Bonds5

About N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 89134284) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID89134284
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC NameN-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H18F3N3O3/c1-14-6-7-15-12-20(22(30)27-16-4-3-5-19(13-16)31-2)28-21(15)29(14)17-8-10-18(11-9-17)32-23(24,25)26/h3-13,28H,1H2,2H3,(H,27,30)
InChIKeyDCHACTIBBJXZJQ-UHFFFAOYSA-N
XLogP5.85
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 89134284) is N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is DCHACTIBBJXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-14-6-7-15-12-20(22(30)27-16-4-3-5-19(13-16)31-2)28-21(15)29(14)17-8-10-18(11-9-17)32-23(24,25)26/h3-13,28H,1H2,2H3,(H,27,30).
What are the key properties of N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 89134284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).