5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine

C19H22N6O — CID 162667387

IUPAC5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccn1
InChIInChI=1S/C19H22N6O/c20-19-18(26-13-16-3-1-2-6-22-16)9-14(10-23-19)15-11-24-25(12-15)17-4-7-21-8-5-17/h1-3,6,9-12,17,21H,4-5,7-8,13H2,(H2,20,23)
InChIKeyQUFDVUSZATXFHV-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.43
Rot. Bonds5

About 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine

5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine (PubChem CID 162667387) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine
PubChem CID162667387
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccn1
InChIInChI=1S/C19H22N6O/c20-19-18(26-13-16-3-1-2-6-22-16)9-14(10-23-19)15-11-24-25(12-15)17-4-7-21-8-5-17/h1-3,6,9-12,17,21H,4-5,7-8,13H2,(H2,20,23)
InChIKeyQUFDVUSZATXFHV-UHFFFAOYSA-N
XLogP2.43
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine?
The IUPAC name of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine (CID 162667387) is 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccn1.
What is the InChIKey of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine?
The InChIKey is QUFDVUSZATXFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c20-19-18(26-13-16-3-1-2-6-22-16)9-14(10-23-19)15-11-24-25(12-15)17-4-7-21-8-5-17/h1-3,6,9-12,17,21H,4-5,7-8,13H2,(H2,20,23).
What are the key properties of 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine?
5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine has a molecular weight of 350.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 162667387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).