N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H20F3N3O2 — CID 91060037

IUPACN-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCc1cccc(NC(=O)c2cc3c([nH]2)N(c2ccc(C(F)(F)F)cc2)C(=O)CC3)c1
InChIInChI=1S/C23H20F3N3O2/c1-2-14-4-3-5-17(12-14)27-22(31)19-13-15-6-11-20(30)29(21(15)28-19)18-9-7-16(8-10-18)23(24,25)26/h3-5,7-10,12-13,28H,2,6,11H2,1H3,(H,27,31)
InChIKeyOLRDKTIRTILRFM-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.46
Rot. Bonds4

About N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 91060037) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID91060037
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC NameN-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCc1cccc(NC(=O)c2cc3c([nH]2)N(c2ccc(C(F)(F)F)cc2)C(=O)CC3)c1
InChIInChI=1S/C23H20F3N3O2/c1-2-14-4-3-5-17(12-14)27-22(31)19-13-15-6-11-20(30)29(21(15)28-19)18-9-7-16(8-10-18)23(24,25)26/h3-5,7-10,12-13,28H,2,6,11H2,1H3,(H,27,31)
InChIKeyOLRDKTIRTILRFM-UHFFFAOYSA-N
XLogP5.46
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 91060037) is N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CCc1cccc(NC(=O)c2cc3c([nH]2)N(c2ccc(C(F)(F)F)cc2)C(=O)CC3)c1.
What is the InChIKey of N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is OLRDKTIRTILRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-2-14-4-3-5-17(12-14)27-22(31)19-13-15-6-11-20(30)29(21(15)28-19)18-9-7-16(8-10-18)23(24,25)26/h3-5,7-10,12-13,28H,2,6,11H2,1H3,(H,27,31).
What are the key properties of N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-6-oxo-7-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 91060037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).