N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide

C21H24N4O2 — CID 50979623

IUPACN-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2cnn3cccnc23)C1
InChIInChI=1S/C21H24N4O2/c1-15(26)24-17-12-18(9-8-16-6-3-2-4-7-16)27-20(13-17)19-14-23-25-11-5-10-22-21(19)25/h2-7,10-11,14,17-18,20H,8-9,12-13H2,1H3,(H,24,26)/t17-,18+,20+/m1/s1
InChIKeyHZPGCNYCYDPTDJ-HBFSDRIKSA-N
MW364.45 g/mol
LogP3.09
Rot. Bonds5

About N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide

N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide (PubChem CID 50979623) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide
PubChem CID50979623
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2cnn3cccnc23)C1
InChIInChI=1S/C21H24N4O2/c1-15(26)24-17-12-18(9-8-16-6-3-2-4-7-16)27-20(13-17)19-14-23-25-11-5-10-22-21(19)25/h2-7,10-11,14,17-18,20H,8-9,12-13H2,1H3,(H,24,26)/t17-,18+,20+/m1/s1
InChIKeyHZPGCNYCYDPTDJ-HBFSDRIKSA-N
XLogP3.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide (CID 50979623) is N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2cnn3cccnc23)C1.
What is the InChIKey of N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide?
The InChIKey is HZPGCNYCYDPTDJ-HBFSDRIKSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(26)24-17-12-18(9-8-16-6-3-2-4-7-16)27-20(13-17)19-14-23-25-11-5-10-22-21(19)25/h2-7,10-11,14,17-18,20H,8-9,12-13H2,1H3,(H,24,26)/t17-,18+,20+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-(2-phenylethyl)-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]acetamide is sourced from PubChem (CID 50979623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).