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2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide

C20H23N5O2 — CID 134798419

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3ccnc4ccnn34)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-4-2-15(3-5-17)14-19(26)23-16-8-12-24(13-9-16)20-7-10-21-18-6-11-22-25(18)20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,26)
InChIKeyVPHYBEFRAIDBFU-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.07
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide

2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide (PubChem CID 134798419) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide
PubChem CID134798419
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3ccnc4ccnn34)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-4-2-15(3-5-17)14-19(26)23-16-8-12-24(13-9-16)20-7-10-21-18-6-11-22-25(18)20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,26)
InChIKeyVPHYBEFRAIDBFU-UHFFFAOYSA-N
XLogP2.07
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide (CID 134798419) is 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide is COc1ccc(CC(=O)NC2CCN(c3ccnc4ccnn34)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide?
The InChIKey is VPHYBEFRAIDBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-17-4-2-15(3-5-17)14-19(26)23-16-8-12-24(13-9-16)20-7-10-21-18-6-11-22-25(18)20/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide?
2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 134798419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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