4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine

C23H24N6O — CID 136609321

IUPAC4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESC=Cc1ccccc1Cc1c(C)nn2c(-c3ncc[nH]3)cc(N3CCOCC3)nc12
InChIInChI=1S/C23H24N6O/c1-3-17-6-4-5-7-18(17)14-19-16(2)27-29-20(22-24-8-9-25-22)15-21(26-23(19)29)28-10-12-30-13-11-28/h3-9,15H,1,10-14H2,2H3,(H,24,25)
InChIKeyWVEWDOCVIKBYGW-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.50
Rot. Bonds5

About 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine

4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine (PubChem CID 136609321) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine
PubChem CID136609321
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESC=Cc1ccccc1Cc1c(C)nn2c(-c3ncc[nH]3)cc(N3CCOCC3)nc12
InChIInChI=1S/C23H24N6O/c1-3-17-6-4-5-7-18(17)14-19-16(2)27-29-20(22-24-8-9-25-22)15-21(26-23(19)29)28-10-12-30-13-11-28/h3-9,15H,1,10-14H2,2H3,(H,24,25)
InChIKeyWVEWDOCVIKBYGW-UHFFFAOYSA-N
XLogP3.50
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The IUPAC name of 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine (CID 136609321) is 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine.
What is the SMILES notation for 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The canonical SMILES for 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine is C=Cc1ccccc1Cc1c(C)nn2c(-c3ncc[nH]3)cc(N3CCOCC3)nc12.
What is the InChIKey of 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The InChIKey is WVEWDOCVIKBYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-3-17-6-4-5-7-18(17)14-19-16(2)27-29-20(22-24-8-9-25-22)15-21(26-23(19)29)28-10-12-30-13-11-28/h3-9,15H,1,10-14H2,2H3,(H,24,25).
What are the key properties of 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine has a molecular weight of 400.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-ethenylphenyl)methyl]-7-(1H-imidazol-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 136609321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).