2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C17H19FN4O2 — CID 138383083

IUPAC2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)CN1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-12(2-4-14)16-13(7-20-21-16)8-22-6-5-17(11-22)10-19-15(23)9-24-17/h1-4,7H,5-6,8-11H2,(H,19,23)(H,20,21)
InChIKeyIYKLRZLXXGTIRH-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.31
Rot. Bonds3

About 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 138383083) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID138383083
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)CN1
InChIInChI=1S/C17H19FN4O2/c18-14-3-1-12(2-4-14)16-13(7-20-21-16)8-22-6-5-17(11-22)10-19-15(23)9-24-17/h1-4,7H,5-6,8-11H2,(H,19,23)(H,20,21)
InChIKeyIYKLRZLXXGTIRH-UHFFFAOYSA-N
XLogP1.31
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138382560
7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 135106659
2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138387872
9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392222
3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
CID 126799650
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 95871666
2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138806837
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138387630
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162636262
9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163308018

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 138383083) is 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)CN1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is IYKLRZLXXGTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-3-1-12(2-4-14)16-13(7-20-21-16)8-22-6-5-17(11-22)10-19-15(23)9-24-17/h1-4,7H,5-6,8-11H2,(H,19,23)(H,20,21).
What are the key properties of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 330.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 138383083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).