5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine

C13H12N4O — CID 167774234

IUPAC5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine
SMILESCOc1nccc2c(-c3ccc(N)nc3)c[nH]c12
InChIInChI=1S/C13H12N4O/c1-18-13-12-9(4-5-15-13)10(7-17-12)8-2-3-11(14)16-6-8/h2-7,17H,1H3,(H2,14,16)
InChIKeyYKVLXJUOYDJZTN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.22
Rot. Bonds2

About 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine

5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine (PubChem CID 167774234) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine
PubChem CID167774234
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine
SMILESCOc1nccc2c(-c3ccc(N)nc3)c[nH]c12
InChIInChI=1S/C13H12N4O/c1-18-13-12-9(4-5-15-13)10(7-17-12)8-2-3-11(14)16-6-8/h2-7,17H,1H3,(H2,14,16)
InChIKeyYKVLXJUOYDJZTN-UHFFFAOYSA-N
XLogP2.22
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine (CID 167774234) is 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine is COc1nccc2c(-c3ccc(N)nc3)c[nH]c12.
What is the InChIKey of 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine?
The InChIKey is YKVLXJUOYDJZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-13-12-9(4-5-15-13)10(7-17-12)8-2-3-11(14)16-6-8/h2-7,17H,1H3,(H2,14,16).
What are the key properties of 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine?
5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 167774234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).