6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C28H32N4O3 — CID 162719025

IUPAC6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCOc1ccc(Cc2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C28H32N4O3/c1-20-24(19-21-11-13-23(14-12-21)35-18-17-34-2)28(33)32-27(29-20)26(31-15-7-4-8-16-31)25(30-32)22-9-5-3-6-10-22/h3,5-6,9-14,30H,4,7-8,15-19H2,1-2H3
InChIKeyBYQGDCFGPHROAD-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.60
Rot. Bonds8

About 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 162719025) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID162719025
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCOc1ccc(Cc2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C28H32N4O3/c1-20-24(19-21-11-13-23(14-12-21)35-18-17-34-2)28(33)32-27(29-20)26(31-15-7-4-8-16-31)25(30-32)22-9-5-3-6-10-22/h3,5-6,9-14,30H,4,7-8,15-19H2,1-2H3
InChIKeyBYQGDCFGPHROAD-UHFFFAOYSA-N
XLogP4.60
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
6-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719029
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307506
N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide
CID 134307222
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
[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 167055429
6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1370222
6-benzyl-2,5-dimethyl-3-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155184493
3-[(dimethylamino)methyl]-2,5-dimethyl-6-(3-phenoxypropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273394
N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 23607405
3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761039
3-(3,3-difluoropyrrolidin-1-yl)-5-methyl-6-naphthalen-2-yl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134365015

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 162719025) is 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCCOc1ccc(Cc2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BYQGDCFGPHROAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20-24(19-21-11-13-23(14-12-21)35-18-17-34-2)28(33)32-27(29-20)26(31-15-7-4-8-16-31)25(30-32)22-9-5-3-6-10-22/h3,5-6,9-14,30H,4,7-8,15-19H2,1-2H3.
What are the key properties of 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 472.59 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methoxyethoxy)phenyl]methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 162719025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).