[(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone

C19H23FN4O2 — CID 97494647

IUPAC[(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@@]2(COCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C19H23FN4O2/c20-15-3-1-4-16(11-15)23-9-10-26-14-19(12-23)6-2-8-24(13-19)18(25)17-5-7-21-22-17/h1,3-5,7,11H,2,6,8-10,12-14H2,(H,21,22)/t19-/m0/s1
InChIKeyVIUXFFMLHPCOKF-IBGZPJMESA-N
MW358.42 g/mol
LogP2.31
Rot. Bonds2

About [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone

[(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 97494647) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID97494647
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@@]2(COCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C19H23FN4O2/c20-15-3-1-4-16(11-15)23-9-10-26-14-19(12-23)6-2-8-24(13-19)18(25)17-5-7-21-22-17/h1,3-5,7,11H,2,6,8-10,12-14H2,(H,21,22)/t19-/m0/s1
InChIKeyVIUXFFMLHPCOKF-IBGZPJMESA-N
XLogP2.31
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone
CID 134070402
[11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone
CID 134070429
1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398083
11-(3-fluorophenyl)-2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155856750
(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone
CID 134072815
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 134074046
3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 155874159
[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 97494683
cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072825
(5-methyl-1H-pyrazol-3-yl)-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494780
pyrazin-2-yl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155853029
11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 131656391

Frequently Asked Questions

What is the IUPAC name of [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone (CID 97494647) is [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC[C@@]2(COCCN(c3cccc(F)c3)C2)C1.
What is the InChIKey of [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is VIUXFFMLHPCOKF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-15-3-1-4-16(11-15)23-9-10-26-14-19(12-23)6-2-8-24(13-19)18(25)17-5-7-21-22-17/h1,3-5,7,11H,2,6,8-10,12-14H2,(H,21,22)/t19-/m0/s1.
What are the key properties of [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone?
[(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 358.42 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 97494647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).