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

C26H24N4O3 — CID 162719155

IUPAC6-(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
SMILESCOc1ccc(-c2c(C)nc3c(N4C[C@@H]5C[C@H]4CC5=O)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C26H24N4O3/c1-15-22(16-8-10-20(33-2)11-9-16)26(32)30-25(27-15)24(23(28-30)17-6-4-3-5-7-17)29-14-18-12-19(29)13-21(18)31/h3-11,18-19,28H,12-14H2,1-2H3/t18-,19-/m0/s1
InChIKeySJDVLGDCXGGCCT-OALUTQOASA-N
MW440.50 g/mol
LogP3.84
Rot. Bonds4

About 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

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 (PubChem CID 162719155) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID162719155
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name6-(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
SMILESCOc1ccc(-c2c(C)nc3c(N4C[C@@H]5C[C@H]4CC5=O)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C26H24N4O3/c1-15-22(16-8-10-20(33-2)11-9-16)26(32)30-25(27-15)24(23(28-30)17-6-4-3-5-7-17)29-14-18-12-19(29)13-21(18)31/h3-11,18-19,28H,12-14H2,1-2H3/t18-,19-/m0/s1
InChIKeySJDVLGDCXGGCCT-OALUTQOASA-N
XLogP3.84
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-(3,3-difluoropyrrolidin-1-yl)-5-methyl-6-naphthalen-2-yl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134365015
N,N-dimethyl-2-[4-(5-methyl-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]acetamide
CID 134307713
6-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 162719029
[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
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinoxalin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307506
3-(cyclohexen-1-yl)-6-(4-hydroxyphenyl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307244
5-(butoxymethyl)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171439850
3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557271
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447
3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761039

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2c(C)nc3c(N4C[C@@H]5C[C@H]4CC5=O)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 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?
The InChIKey is SJDVLGDCXGGCCT-OALUTQOASA-N. The full InChI is InChI=1S/C26H24N4O3/c1-15-22(16-8-10-20(33-2)11-9-16)26(32)30-25(27-15)24(23(28-30)17-6-4-3-5-7-17)29-14-18-12-19(29)13-21(18)31/h3-11,18-19,28H,12-14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 440.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162719155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).