(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C18H21FN4O2 — CID 97476702

IUPAC(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)nc1
InChIInChI=1S/C18H21FN4O2/c19-14-10-21-17(22-11-14)23-7-4-18(5-8-23)9-16(13-25-18)24-12-15-3-1-2-6-20-15/h1-3,6,10-11,16H,4-5,7-9,12-13H2/t16-/m0/s1
InChIKeyQORQMVHRNOFGBO-INIZCTEOSA-N
MW344.39 g/mol
LogP2.36
Rot. Bonds4

About (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97476702) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97476702
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)nc1
InChIInChI=1S/C18H21FN4O2/c19-14-10-21-17(22-11-14)23-7-4-18(5-8-23)9-16(13-25-18)24-12-15-3-1-2-6-20-15/h1-3,6,10-11,16H,4-5,7-9,12-13H2/t16-/m0/s1
InChIKeyQORQMVHRNOFGBO-INIZCTEOSA-N
XLogP2.36
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5S)-7-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 171696569
(3S,5S)-9-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852021
(3R)-8-methyl-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419146
(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97474544
8-(5-fluoropyrimidin-2-yl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171696400
8-methyl-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155843149
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155844223
[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone
CID 97477576
2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477117
(3S,5S)-7-(furan-3-ylmethyl)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97477552
(1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97419168
8-cyclopropylsulfonyl-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155837695

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 97476702) is (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is Fc1cnc(N2CCC3(CC2)C[C@H](OCc2ccccn2)CO3)nc1.
What is the InChIKey of (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QORQMVHRNOFGBO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-10-21-17(22-11-14)23-7-4-18(5-8-23)9-16(13-25-18)24-12-15-3-1-2-6-20-15/h1-3,6,10-11,16H,4-5,7-9,12-13H2/t16-/m0/s1.
What are the key properties of (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 344.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97476702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).