(4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone

C24H28N4O2 — CID 90571537

IUPAC(4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2cc3ccccn3n2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H28N4O2/c29-23(24(9-16-30-17-10-24)20-6-2-1-3-7-20)27-14-12-26(13-15-27)19-21-18-22-8-4-5-11-28(22)25-21/h1-8,11,18H,9-10,12-17,19H2
InChIKeyQDAGFBVWRRDJBN-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.73
Rot. Bonds4

About (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone

(4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 90571537) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID90571537
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2cc3ccccn3n2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H28N4O2/c29-23(24(9-16-30-17-10-24)20-6-2-1-3-7-20)27-14-12-26(13-15-27)19-21-18-22-8-4-5-11-28(22)25-21/h1-8,11,18H,9-10,12-17,19H2
InChIKeyQDAGFBVWRRDJBN-UHFFFAOYSA-N
XLogP2.73
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 90571537) is (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone is O=C(N1CCN(Cc2cc3ccccn3n2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is QDAGFBVWRRDJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(24(9-16-30-17-10-24)20-6-2-1-3-7-20)27-14-12-26(13-15-27)19-21-18-22-8-4-5-11-28(22)25-21/h1-8,11,18H,9-10,12-17,19H2.
What are the key properties of (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
(4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90571537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).