pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone

C19H18N4O2 — CID 127918005

IUPACpyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone
SMILESO=C(c1cnn2cccnc12)N1CCCC2(C1)OCc1ccccc12
InChIInChI=1S/C19H18N4O2/c24-18(15-11-21-23-10-4-8-20-17(15)23)22-9-3-7-19(13-22)16-6-2-1-5-14(16)12-25-19/h1-2,4-6,8,10-11H,3,7,9,12-13H2
InChIKeyXBYZWKLRJDQGOL-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.39
Rot. Bonds1

About pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone

pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone (PubChem CID 127918005) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone
PubChem CID127918005
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Namepyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone
SMILESO=C(c1cnn2cccnc12)N1CCCC2(C1)OCc1ccccc12
InChIInChI=1S/C19H18N4O2/c24-18(15-11-21-23-10-4-8-20-17(15)23)22-9-3-7-19(13-22)16-6-2-1-5-14(16)12-25-19/h1-2,4-6,8,10-11H,3,7,9,12-13H2
InChIKeyXBYZWKLRJDQGOL-UHFFFAOYSA-N
XLogP2.39
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97395204
3-fluoro-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259369
[(3R,5S)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97397213
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110097965
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 138998943
(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
CID 136564929
(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
CID 141133211
(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
CID 127918025
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97394035
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 131646194
8,8-dimethyl-9-oxo-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162442084
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone (CID 127918005) is pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone is O=C(c1cnn2cccnc12)N1CCCC2(C1)OCc1ccccc12.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone?
The InChIKey is XBYZWKLRJDQGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(15-11-21-23-10-4-8-20-17(15)23)22-9-3-7-19(13-22)16-6-2-1-5-14(16)12-25-19/h1-2,4-6,8,10-11H,3,7,9,12-13H2.
What are the key properties of pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone?
pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 127918005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).