[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C23H24N6OS — CID 166621266

IUPAC[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCCNc1nc(C2(c3ccccc3)CCN(C(=O)c3cc4ncccn4n3)CC2)cs1
InChIInChI=1S/C23H24N6OS/c1-2-24-22-26-19(16-31-22)23(17-7-4-3-5-8-17)9-13-28(14-10-23)21(30)18-15-20-25-11-6-12-29(20)27-18/h3-8,11-12,15-16H,2,9-10,13-14H2,1H3,(H,24,26)
InChIKeySOVRRRXZGCGNNA-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.84
Rot. Bonds5

About [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 166621266) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID166621266
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCCNc1nc(C2(c3ccccc3)CCN(C(=O)c3cc4ncccn4n3)CC2)cs1
InChIInChI=1S/C23H24N6OS/c1-2-24-22-26-19(16-31-22)23(17-7-4-3-5-8-17)9-13-28(14-10-23)21(30)18-15-20-25-11-6-12-29(20)27-18/h3-8,11-12,15-16H,2,9-10,13-14H2,1H3,(H,24,26)
InChIKeySOVRRRXZGCGNNA-UHFFFAOYSA-N
XLogP3.84
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 166621266) is [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is CCNc1nc(C2(c3ccccc3)CCN(C(=O)c3cc4ncccn4n3)CC2)cs1.
What is the InChIKey of [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is SOVRRRXZGCGNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-2-24-22-26-19(16-31-22)23(17-7-4-3-5-8-17)9-13-28(14-10-23)21(30)18-15-20-25-11-6-12-29(20)27-18/h3-8,11-12,15-16H,2,9-10,13-14H2,1H3,(H,24,26).
What are the key properties of [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 432.55 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 166621266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).