2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H27N5O3 — CID 92581508

IUPAC2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1[nH]n2c(=O)cc([C@@H](C)n3ccnc3C(C)C)nc2c1-c1ccc(OC)cc1
InChIInChI=1S/C23H27N5O3/c1-14(2)22-24-10-11-27(22)15(3)18-12-20(29)28-23(25-18)21(19(26-28)13-30-4)16-6-8-17(31-5)9-7-16/h6-12,14-15,26H,13H2,1-5H3/t15-/m1/s1
InChIKeyMWEHEEVKAYAZQV-OAHLLOKOSA-N
MW421.50 g/mol
LogP3.77
Rot. Bonds7

About 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92581508) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92581508
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1[nH]n2c(=O)cc([C@@H](C)n3ccnc3C(C)C)nc2c1-c1ccc(OC)cc1
InChIInChI=1S/C23H27N5O3/c1-14(2)22-24-10-11-27(22)15(3)18-12-20(29)28-23(25-18)21(19(26-28)13-30-4)16-6-8-17(31-5)9-7-16/h6-12,14-15,26H,13H2,1-5H3/t15-/m1/s1
InChIKeyMWEHEEVKAYAZQV-OAHLLOKOSA-N
XLogP3.77
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98133043
2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973795
3-(4-methoxyphenyl)-2-methyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 16674607
3-(4-chlorophenyl)-2-(methoxymethyl)-5-[(3S)-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 31160716
3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1091466
2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168548
3-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2810240
2-(methoxymethyl)-3-(4-methylphenyl)-5-(1-propylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95851117
2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139098
5-[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139087
5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56854687
3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168369

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92581508) is 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1[nH]n2c(=O)cc([C@@H](C)n3ccnc3C(C)C)nc2c1-c1ccc(OC)cc1.
What is the InChIKey of 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MWEHEEVKAYAZQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14(2)22-24-10-11-27(22)15(3)18-12-20(29)28-23(25-18)21(19(26-28)13-30-4)16-6-8-17(31-5)9-7-16/h6-12,14-15,26H,13H2,1-5H3/t15-/m1/s1.
What are the key properties of 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 421.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-[(1R)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92581508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).