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

C22H16F3N3O3 — CID 58016579

IUPACN-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(C(F)(F)F)cc4)c3[nH]2)c1
InChIInChI=1S/C22H16F3N3O3/c1-31-17-4-2-3-15(12-17)26-21(30)18-11-13-5-10-19(29)28(20(13)27-18)16-8-6-14(7-9-16)22(23,24)25/h2-12,27H,1H3,(H,26,30)
InChIKeyQNYHDMHKPLWNRJ-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.60
Rot. Bonds4

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

N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 58016579) has the molecular formula C22H16F3N3O3 and a molecular weight of 427.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID58016579
Molecular FormulaC22H16F3N3O3
Molecular Weight427.38 g/mol
Exact Mass427.11
IUPAC NameN-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(C(F)(F)F)cc4)c3[nH]2)c1
InChIInChI=1S/C22H16F3N3O3/c1-31-17-4-2-3-15(12-17)26-21(30)18-11-13-5-10-19(29)28(20(13)27-18)16-8-6-14(7-9-16)22(23,24)25/h2-12,27H,1H3,(H,26,30)
InChIKeyQNYHDMHKPLWNRJ-UHFFFAOYSA-N
XLogP4.60
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.60
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-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 58016579) is N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(C(F)(F)F)cc4)c3[nH]2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is QNYHDMHKPLWNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O3/c1-31-17-4-2-3-15(12-17)26-21(30)18-11-13-5-10-19(29)28(20(13)27-18)16-8-6-14(7-9-16)22(23,24)25/h2-12,27H,1H3,(H,26,30).
What are the key properties of N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 427.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58016579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).