5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine

C20H17FN4O — CID 146253000

IUPAC5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2ccc(-c3cc4cc(OC)ncc4[nH]3)c(F)c2)cn1
InChIInChI=1S/C20H17FN4O/c1-22-19-6-4-13(10-23-19)12-3-5-15(16(21)7-12)17-8-14-9-20(26-2)24-11-18(14)25-17/h3-11,25H,1-2H3,(H,22,23)
InChIKeyIYJYVUAXGDQBQS-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.48
Rot. Bonds4

About 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine

5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine (PubChem CID 146253000) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine
PubChem CID146253000
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2ccc(-c3cc4cc(OC)ncc4[nH]3)c(F)c2)cn1
InChIInChI=1S/C20H17FN4O/c1-22-19-6-4-13(10-23-19)12-3-5-15(16(21)7-12)17-8-14-9-20(26-2)24-11-18(14)25-17/h3-11,25H,1-2H3,(H,22,23)
InChIKeyIYJYVUAXGDQBQS-UHFFFAOYSA-N
XLogP4.48
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine (CID 146253000) is 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine is CNc1ccc(-c2ccc(-c3cc4cc(OC)ncc4[nH]3)c(F)c2)cn1.
What is the InChIKey of 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine?
The InChIKey is IYJYVUAXGDQBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-22-19-6-4-13(10-23-19)12-3-5-15(16(21)7-12)17-8-14-9-20(26-2)24-11-18(14)25-17/h3-11,25H,1-2H3,(H,22,23).
What are the key properties of 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine?
5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine has a molecular weight of 348.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 146253000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).