2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone

C25H24N4O3 — CID 58207145

IUPAC2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone
SMILESCc1cc2nc(CC(=O)c3ccc(C(C)(C)O)nc3)cc(-c3ccc4c(c3)CCO4)n2n1
InChIInChI=1S/C25H24N4O3/c1-15-10-24-27-19(13-21(30)18-5-7-23(26-14-18)25(2,3)31)12-20(29(24)28-15)16-4-6-22-17(11-16)8-9-32-22/h4-7,10-12,14,31H,8-9,13H2,1-3H3
InChIKeyNLASOVVYEYGTOH-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.69
Rot. Bonds5

About 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone

2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone (PubChem CID 58207145) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone
PubChem CID58207145
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone
SMILESCc1cc2nc(CC(=O)c3ccc(C(C)(C)O)nc3)cc(-c3ccc4c(c3)CCO4)n2n1
InChIInChI=1S/C25H24N4O3/c1-15-10-24-27-19(13-21(30)18-5-7-23(26-14-18)25(2,3)31)12-20(29(24)28-15)16-4-6-22-17(11-16)8-9-32-22/h4-7,10-12,14,31H,8-9,13H2,1-3H3
InChIKeyNLASOVVYEYGTOH-UHFFFAOYSA-N
XLogP3.69
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207168
N-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 66878496
1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene
CID 163264809
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
1-(4-tert-butylphenyl)-2-[7-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207087
2-[7-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66695879
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114980669
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanone;ethane
CID 143027008
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46412653
2-[5-(2,3-dihydro-1-benzofuran-5-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043197

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone?
The IUPAC name of 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone (CID 58207145) is 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone is Cc1cc2nc(CC(=O)c3ccc(C(C)(C)O)nc3)cc(-c3ccc4c(c3)CCO4)n2n1.
What is the InChIKey of 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone?
The InChIKey is NLASOVVYEYGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-10-24-27-19(13-21(30)18-5-7-23(26-14-18)25(2,3)31)12-20(29(24)28-15)16-4-6-22-17(11-16)8-9-32-22/h4-7,10-12,14,31H,8-9,13H2,1-3H3.
What are the key properties of 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone?
2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone has a molecular weight of 428.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 58207145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).