2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C19H18F4N4O2 — CID 171633877

IUPAC2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1c(F)cc(C)c(-n2c(N)c(C(N)=O)c3cc(C(F)(F)F)c(C)nc32)c1C
InChIInChI=1S/C19H18F4N4O2/c1-7-5-12(20)15(29-4)8(2)14(7)27-16(24)13(17(25)28)10-6-11(19(21,22)23)9(3)26-18(10)27/h5-6H,24H2,1-4H3,(H2,25,28)
InChIKeyMDLRCZJVHWBARM-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.80
Rot. Bonds3

About 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171633877) has the molecular formula C19H18F4N4O2 and a molecular weight of 410.37 g/mol. Its IUPAC name is 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171633877
Molecular FormulaC19H18F4N4O2
Molecular Weight410.37 g/mol
Exact Mass410.14
IUPAC Name2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1c(F)cc(C)c(-n2c(N)c(C(N)=O)c3cc(C(F)(F)F)c(C)nc32)c1C
InChIInChI=1S/C19H18F4N4O2/c1-7-5-12(20)15(29-4)8(2)14(7)27-16(24)13(17(25)28)10-6-11(19(21,22)23)9(3)26-18(10)27/h5-6H,24H2,1-4H3,(H2,25,28)
InChIKeyMDLRCZJVHWBARM-UHFFFAOYSA-N
XLogP3.80
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 171633877) is 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is COc1c(F)cc(C)c(-n2c(N)c(C(N)=O)c3cc(C(F)(F)F)c(C)nc32)c1C.
What is the InChIKey of 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is MDLRCZJVHWBARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O2/c1-7-5-12(20)15(29-4)8(2)14(7)27-16(24)13(17(25)28)10-6-11(19(21,22)23)9(3)26-18(10)27/h5-6H,24H2,1-4H3,(H2,25,28).
What are the key properties of 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluoro-3-methoxy-2,6-dimethylphenyl)-6-methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171633877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).