(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C18H23F2N3O2 — CID 131684903

IUPAC(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(N1CCCC2(COCCN(c3ncccc3F)C2)C1)C1(F)CC1
InChIInChI=1S/C18H23F2N3O2/c19-14-3-1-7-21-15(14)22-9-10-25-13-17(11-22)4-2-8-23(12-17)16(24)18(20)5-6-18/h1,3,7H,2,4-6,8-13H2
InChIKeyJHONYGHKJPRUAM-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.17
Rot. Bonds2

About (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 131684903) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID131684903
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(N1CCCC2(COCCN(c3ncccc3F)C2)C1)C1(F)CC1
InChIInChI=1S/C18H23F2N3O2/c19-14-3-1-7-21-15(14)22-9-10-25-13-17(11-22)4-2-8-23(12-17)16(24)18(20)5-6-18/h1,3,7H,2,4-6,8-13H2
InChIKeyJHONYGHKJPRUAM-UHFFFAOYSA-N
XLogP2.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 134070416
(6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494739
11-(3-fluoro-2-pyridinyl)-2-(oxan-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155863191
(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494732
bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 172686931
cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
[11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone
CID 134070429
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115
[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone
CID 97385023
pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134070411

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 131684903) is (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C(N1CCCC2(COCCN(c3ncccc3F)C2)C1)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is JHONYGHKJPRUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c19-14-3-1-7-21-15(14)22-9-10-25-13-17(11-22)4-2-8-23(12-17)16(24)18(20)5-6-18/h1,3,7H,2,4-6,8-13H2.
What are the key properties of (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 351.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 131684903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).