5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide

C18H16F3N3O3 — CID 53134437

IUPAC5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2C)c1=O
InChIInChI=1S/C18H16F3N3O3/c1-3-24-9-8-14-13(17(24)26)10-15(23(14)2)16(25)22-11-4-6-12(7-5-11)27-18(19,20)21/h4-10H,3H2,1-2H3,(H,22,25)
InChIKeyYSSURLLGRBMBJE-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.51
Rot. Bonds4

About 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide

5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134437) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134437
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2C)c1=O
InChIInChI=1S/C18H16F3N3O3/c1-3-24-9-8-14-13(17(24)26)10-15(23(14)2)16(25)22-11-4-6-12(7-5-11)27-18(19,20)21/h4-10H,3H2,1-2H3,(H,22,25)
InChIKeyYSSURLLGRBMBJE-UHFFFAOYSA-N
XLogP3.51
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134437) is 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide is CCn1ccc2c(cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2C)c1=O.
What is the InChIKey of 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is YSSURLLGRBMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-3-24-9-8-14-13(17(24)26)10-15(23(14)2)16(25)22-11-4-6-12(7-5-11)27-18(19,20)21/h4-10H,3H2,1-2H3,(H,22,25).
What are the key properties of 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide?
5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).