2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole

C23H31N5O2 — CID 138376515

IUPAC2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole
SMILESCC(C)c1cc2cccc(-c3nnc(C4CCN(CC5CCOCC5)CC4)o3)n2n1
InChIInChI=1S/C23H31N5O2/c1-16(2)20-14-19-4-3-5-21(28(19)26-20)23-25-24-22(30-23)18-6-10-27(11-7-18)15-17-8-12-29-13-9-17/h3-5,14,16-18H,6-13,15H2,1-2H3
InChIKeyZFHAKBSSOYHMLY-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.11
Rot. Bonds5

About 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole

2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole (PubChem CID 138376515) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole
PubChem CID138376515
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole
SMILESCC(C)c1cc2cccc(-c3nnc(C4CCN(CC5CCOCC5)CC4)o3)n2n1
InChIInChI=1S/C23H31N5O2/c1-16(2)20-14-19-4-3-5-21(28(19)26-20)23-25-24-22(30-23)18-6-10-27(11-7-18)15-17-8-12-29-13-9-17/h3-5,14,16-18H,6-13,15H2,1-2H3
InChIKeyZFHAKBSSOYHMLY-UHFFFAOYSA-N
XLogP4.11
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole (CID 138376515) is 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole is CC(C)c1cc2cccc(-c3nnc(C4CCN(CC5CCOCC5)CC4)o3)n2n1.
What is the InChIKey of 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole?
The InChIKey is ZFHAKBSSOYHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16(2)20-14-19-4-3-5-21(28(19)26-20)23-25-24-22(30-23)18-6-10-27(11-7-18)15-17-8-12-29-13-9-17/h3-5,14,16-18H,6-13,15H2,1-2H3.
What are the key properties of 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole?
2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole has a molecular weight of 409.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylpyrazolo[1,5-a]pyridin-7-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 138376515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).