[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone

C17H19FN4O3 — CID 97371841

IUPAC[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C17H19FN4O3/c18-13-7-19-16(20-8-13)21-14-6-17(25-10-14)3-1-4-22(11-17)15(23)12-2-5-24-9-12/h2,5,7-9,14H,1,3-4,6,10-11H2,(H,19,20,21)/t14-,17-/m1/s1
InChIKeyUWCLGRYHCPFWHX-RHSMWYFYSA-N
MW346.36 g/mol
LogP2.08
Rot. Bonds3

About [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone

[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone (PubChem CID 97371841) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone
PubChem CID97371841
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C17H19FN4O3/c18-13-7-19-16(20-8-13)21-14-6-17(25-10-14)3-1-4-22(11-17)15(23)12-2-5-24-9-12/h2,5,7-9,14H,1,3-4,6,10-11H2,(H,19,20,21)/t14-,17-/m1/s1
InChIKeyUWCLGRYHCPFWHX-RHSMWYFYSA-N
XLogP2.08
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489467
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 131646415
1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one
CID 97489734
1-[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
CID 131650836
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 171688641
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
CID 134074870
N-(5-fluoropyrimidin-2-yl)-9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 171696764
(1-fluorocyclobutyl)-[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131685195
furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371695
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97489493
[(3S,5R)-3-(3-fluoroanilino)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97489170
(3S,5S)-9-ethylsulfonyl-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124519926

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone (CID 97371841) is [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone?
The InChIKey is UWCLGRYHCPFWHX-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-13-7-19-16(20-8-13)21-14-6-17(25-10-14)3-1-4-22(11-17)15(23)12-2-5-24-9-12/h2,5,7-9,14H,1,3-4,6,10-11H2,(H,19,20,21)/t14-,17-/m1/s1.
What are the key properties of [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone?
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone has a molecular weight of 346.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97371841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).