4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine

C19H16N4O — CID 25061056

IUPAC4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3ccnc(N)c3)cc12
InChIInChI=1S/C19H16N4O/c1-24-17-5-3-2-4-14(17)16-11-23-19-15(16)8-13(10-22-19)12-6-7-21-18(20)9-12/h2-11H,1H3,(H2,20,21)(H,22,23)
InChIKeyIFJBBJVLATZWQA-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.88
Rot. Bonds3

About 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine

4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine (PubChem CID 25061056) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
PubChem CID25061056
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3ccnc(N)c3)cc12
InChIInChI=1S/C19H16N4O/c1-24-17-5-3-2-4-14(17)16-11-23-19-15(16)8-13(10-22-19)12-6-7-21-18(20)9-12/h2-11H,1H3,(H2,20,21)(H,22,23)
InChIKeyIFJBBJVLATZWQA-UHFFFAOYSA-N
XLogP3.88
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine (CID 25061056) is 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine is COc1ccccc1-c1c[nH]c2ncc(-c3ccnc(N)c3)cc12.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?
The InChIKey is IFJBBJVLATZWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-17-5-3-2-4-14(17)16-11-23-19-15(16)8-13(10-22-19)12-6-7-21-18(20)9-12/h2-11H,1H3,(H2,20,21)(H,22,23).
What are the key properties of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 25061056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).