5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C26H28N4O2 — CID 134364987

IUPAC5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1N1CCC(OC)CC1
InChIInChI=1S/C26H28N4O2/c1-3-21-24(29-16-14-20(32-2)15-17-29)26(31)30-25(27-21)22(18-10-6-4-7-11-18)23(28-30)19-12-8-5-9-13-19/h4-13,20,28H,3,14-17H2,1-2H3
InChIKeyCOTLIDDUOJZLFV-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.53
Rot. Bonds5

About 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134364987) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134364987
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1N1CCC(OC)CC1
InChIInChI=1S/C26H28N4O2/c1-3-21-24(29-16-14-20(32-2)15-17-29)26(31)30-25(27-21)22(18-10-6-4-7-11-18)23(28-30)19-12-8-5-9-13-19/h4-13,20,28H,3,14-17H2,1-2H3
InChIKeyCOTLIDDUOJZLFV-UHFFFAOYSA-N
XLogP4.53
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5-(butoxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171439850
5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140798
5-(chloromethyl)-2-(4-chlorophenyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974884
2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307194
3-(5-azaspiro[2.4]heptan-5-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719134
6-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719029
6-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-5-methyl-2-(4-methylphenyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 139363751
6-[(4-methoxy-3-pyrrolidin-1-ylphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719065
N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide
CID 134307713
2-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetonitrile
CID 134307723
N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide
CID 134307222
6-(4-methoxyphenyl)-5-methyl-3-[(1S,4S)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719155

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134364987) is 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1N1CCC(OC)CC1.
What is the InChIKey of 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is COTLIDDUOJZLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-3-21-24(29-16-14-20(32-2)15-17-29)26(31)30-25(27-21)22(18-10-6-4-7-11-18)23(28-30)19-12-8-5-9-13-19/h4-13,20,28H,3,14-17H2,1-2H3.
What are the key properties of 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 428.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-methoxypiperidin-1-yl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134364987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).