3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine

C20H17N5O — CID 53312319

IUPAC3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cnc2N)cn1
InChIInChI=1S/C20H17N5O/c1-26-19-8-5-15(12-22-19)18-11-16(13-23-20(18)21)14-3-6-17(7-4-14)25-10-2-9-24-25/h2-13H,1H3,(H2,21,23)
InChIKeyGXOKGTYDFIBJNC-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.59
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine

3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine (PubChem CID 53312319) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine
PubChem CID53312319
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cnc2N)cn1
InChIInChI=1S/C20H17N5O/c1-26-19-8-5-15(12-22-19)18-11-16(13-23-20(18)21)14-3-6-17(7-4-14)25-10-2-9-24-25/h2-13H,1H3,(H2,21,23)
InChIKeyGXOKGTYDFIBJNC-UHFFFAOYSA-N
XLogP3.59
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine (CID 53312319) is 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine?
The InChIKey is GXOKGTYDFIBJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-26-19-8-5-15(12-22-19)18-11-16(13-23-20(18)21)14-3-6-17(7-4-14)25-10-2-9-24-25/h2-13H,1H3,(H2,21,23).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine?
3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 53312319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).