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

C22H15ClF3N3O2 — CID 89134278

IUPACN-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H15ClF3N3O2/c1-13-5-6-14-11-19(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/h2-12,28H,1H2,(H,27,30)
InChIKeyVZMPRTIAMAEYMA-UHFFFAOYSA-N
MW445.83 g/mol
LogP6.50
Rot. Bonds4

About N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-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 (PubChem CID 89134278) has the molecular formula C22H15ClF3N3O2 and a molecular weight of 445.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-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
PubChem CID89134278
Molecular FormulaC22H15ClF3N3O2
Molecular Weight445.83 g/mol
Exact Mass445.08
IUPAC NameN-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H15ClF3N3O2/c1-13-5-6-14-11-19(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/h2-12,28H,1H2,(H,27,30)
InChIKeyVZMPRTIAMAEYMA-UHFFFAOYSA-N
XLogP6.50
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.83
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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?
The IUPAC name of N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 89134278) is N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-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?
The canonical SMILES for N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is VZMPRTIAMAEYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O2/c1-13-5-6-14-11-19(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/h2-12,28H,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?
N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 445.83 g/mol, XLogP of 6.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 89134278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).