[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C17H16FN5O3 — CID 122258258

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C17H16FN5O3/c18-11-8-19-17(20-9-11)26-12-3-1-5-23(10-12)16(24)14-7-13(21-22-14)15-4-2-6-25-15/h2,4,6-9,12H,1,3,5,10H2,(H,21,22)
InChIKeyBTUVZBBVJSBCSU-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.28
Rot. Bonds4

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 122258258) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID122258258
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C17H16FN5O3/c18-11-8-19-17(20-9-11)26-12-3-1-5-23(10-12)16(24)14-7-13(21-22-14)15-4-2-6-25-15/h2,4,6-9,12H,1,3,5,10H2,(H,21,22)
InChIKeyBTUVZBBVJSBCSU-UHFFFAOYSA-N
XLogP2.28
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639019
N-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 51079185
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 122258470
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 95341170
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 122258258) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is BTUVZBBVJSBCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c18-11-8-19-17(20-9-11)26-12-3-1-5-23(10-12)16(24)14-7-13(21-22-14)15-4-2-6-25-15/h2,4,6-9,12H,1,3,5,10H2,(H,21,22).
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 357.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 122258258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).