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

C21H25N5O — CID 59599420

IUPAC3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-15(16-5-3-2-4-6-16)27-20-11-17(12-24-21(20)22)18-13-25-26(14-18)19-7-9-23-10-8-19/h2-6,11-15,19,23H,7-10H2,1H3,(H2,22,24)
InChIKeyARVDCQCSZGUSGD-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.59
Rot. Bonds5

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

3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 59599420) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID59599420
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-15(16-5-3-2-4-6-16)27-20-11-17(12-24-21(20)22)18-13-25-26(14-18)19-7-9-23-10-8-19/h2-6,11-15,19,23H,7-10H2,1H3,(H2,22,24)
InChIKeyARVDCQCSZGUSGD-UHFFFAOYSA-N
XLogP3.59
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 59599420) is 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1ccccc1.
What is the InChIKey of 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is ARVDCQCSZGUSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15(16-5-3-2-4-6-16)27-20-11-17(12-24-21(20)22)18-13-25-26(14-18)19-7-9-23-10-8-19/h2-6,11-15,19,23H,7-10H2,1H3,(H2,22,24).
What are the key properties of 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 59599420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).