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

C22H26FN5O2 — CID 146185163

IUPAC3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(F)cc1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N
InChIInChI=1S/C22H26FN5O2/c1-14(19-10-17(23)3-4-20(19)29-2)30-21-9-15(11-26-22(21)24)16-12-27-28(13-16)18-5-7-25-8-6-18/h3-4,9-14,18,25H,5-8H2,1-2H3,(H2,24,26)
InChIKeyKWESEOYSTBXZIE-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.74
Rot. Bonds6

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

3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 146185163) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID146185163
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(F)cc1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N
InChIInChI=1S/C22H26FN5O2/c1-14(19-10-17(23)3-4-20(19)29-2)30-21-9-15(11-26-22(21)24)16-12-27-28(13-16)18-5-7-25-8-6-18/h3-4,9-14,18,25H,5-8H2,1-2H3,(H2,24,26)
InChIKeyKWESEOYSTBXZIE-UHFFFAOYSA-N
XLogP3.74
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 146185163) is 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is COc1ccc(F)cc1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N.
What is the InChIKey of 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is KWESEOYSTBXZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-14(19-10-17(23)3-4-20(19)29-2)30-21-9-15(11-26-22(21)24)16-12-27-28(13-16)18-5-7-25-8-6-18/h3-4,9-14,18,25H,5-8H2,1-2H3,(H2,24,26).
What are the key properties of 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 411.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 146185163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).