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

C22H16F3N3O3 — CID 58016483

IUPACN-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C(=O)c1cc2ccc(=O)n(-c3ccc(OC(F)(F)F)cc3)c2[nH]1)c1ccccc1
InChIInChI=1S/C22H16F3N3O3/c1-27(15-5-3-2-4-6-15)21(30)18-13-14-7-12-19(29)28(20(14)26-18)16-8-10-17(11-9-16)31-22(23,24)25/h2-13,26H,1H3
InChIKeyCNQPROBYLBERPL-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.49
Rot. Bonds4

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

N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 58016483) has the molecular formula C22H16F3N3O3 and a molecular weight of 427.38 g/mol. Its IUPAC name is N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID58016483
Molecular FormulaC22H16F3N3O3
Molecular Weight427.38 g/mol
Exact Mass427.11
IUPAC NameN-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C(=O)c1cc2ccc(=O)n(-c3ccc(OC(F)(F)F)cc3)c2[nH]1)c1ccccc1
InChIInChI=1S/C22H16F3N3O3/c1-27(15-5-3-2-4-6-15)21(30)18-13-14-7-12-19(29)28(20(14)26-18)16-8-10-17(11-9-16)31-22(23,24)25/h2-13,26H,1H3
InChIKeyCNQPROBYLBERPL-UHFFFAOYSA-N
XLogP4.49
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 58016483) is N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CN(C(=O)c1cc2ccc(=O)n(-c3ccc(OC(F)(F)F)cc3)c2[nH]1)c1ccccc1.
What is the InChIKey of N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is CNQPROBYLBERPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O3/c1-27(15-5-3-2-4-6-15)21(30)18-13-14-7-12-19(29)28(20(14)26-18)16-8-10-17(11-9-16)31-22(23,24)25/h2-13,26H,1H3.
What are the key properties of N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 427.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-phenyl-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58016483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).