2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

C20H21F3N4O3 — CID 177163647

IUPAC2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCCn1c(C(F)(F)F)cc2c(C(N)=O)c(N)n(-c3c(C)ccc(OC)c3C)c2c1=O
InChIInChI=1S/C20H21F3N4O3/c1-5-26-13(20(21,22)23)8-11-14(18(25)28)17(24)27(16(11)19(26)29)15-9(2)6-7-12(30-4)10(15)3/h6-8H,5,24H2,1-4H3,(H2,25,28)
InChIKeyWRUULCMHBALBAX-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.14
Rot. Bonds4

About 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 177163647) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID177163647
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCCn1c(C(F)(F)F)cc2c(C(N)=O)c(N)n(-c3c(C)ccc(OC)c3C)c2c1=O
InChIInChI=1S/C20H21F3N4O3/c1-5-26-13(20(21,22)23)8-11-14(18(25)28)17(24)27(16(11)19(26)29)15-9(2)6-7-12(30-4)10(15)3/h6-8H,5,24H2,1-4H3,(H2,25,28)
InChIKeyWRUULCMHBALBAX-UHFFFAOYSA-N
XLogP3.14
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (CID 177163647) is 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is CCn1c(C(F)(F)F)cc2c(C(N)=O)c(N)n(-c3c(C)ccc(OC)c3C)c2c1=O.
What is the InChIKey of 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is WRUULCMHBALBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-5-26-13(20(21,22)23)8-11-14(18(25)28)17(24)27(16(11)19(26)29)15-9(2)6-7-12(30-4)10(15)3/h6-8H,5,24H2,1-4H3,(H2,25,28).
What are the key properties of 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 177163647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).