3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C21H25N5O2 — CID 162654649

IUPAC3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1
InChIInChI=1S/C21H25N5O2/c1-27-19-4-2-15(3-5-19)14-28-20-10-16(11-24-21(20)22)17-12-25-26(13-17)18-6-8-23-9-7-18/h2-5,10-13,18,23H,6-9,14H2,1H3,(H2,22,24)
InChIKeyROFWZDAKGNHQRX-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.04
Rot. Bonds6

About 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 162654649) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID162654649
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1
InChIInChI=1S/C21H25N5O2/c1-27-19-4-2-15(3-5-19)14-28-20-10-16(11-24-21(20)22)17-12-25-26(13-17)18-6-8-23-9-7-18/h2-5,10-13,18,23H,6-9,14H2,1H3,(H2,22,24)
InChIKeyROFWZDAKGNHQRX-UHFFFAOYSA-N
XLogP3.04
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.04
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 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 162654649) is 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is COc1ccc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is ROFWZDAKGNHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-27-19-4-2-15(3-5-19)14-28-20-10-16(11-24-21(20)22)17-12-25-26(13-17)18-6-8-23-9-7-18/h2-5,10-13,18,23H,6-9,14H2,1H3,(H2,22,24).
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 379.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 162654649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).