[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone

C18H20FN5O2 — CID 97489467

IUPAC[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C18H20FN5O2/c19-14-9-21-17(22-10-14)23-15-7-18(26-11-15)4-2-6-24(12-18)16(25)13-3-1-5-20-8-13/h1,3,5,8-10,15H,2,4,6-7,11-12H2,(H,21,22,23)/t15-,18+/m1/s1
InChIKeyOIFHABODHYNMKE-QAPCUYQASA-N
MW357.39 g/mol
LogP1.89
Rot. Bonds3

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

[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone (PubChem CID 97489467) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
PubChem CID97489467
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C18H20FN5O2/c19-14-9-21-17(22-10-14)23-15-7-18(26-11-15)4-2-6-24(12-18)16(25)13-3-1-5-20-8-13/h1,3,5,8-10,15H,2,4,6-7,11-12H2,(H,21,22,23)/t15-,18+/m1/s1
InChIKeyOIFHABODHYNMKE-QAPCUYQASA-N
XLogP1.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-3-yl)methanone
CID 97371841
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 131646415
pyridin-3-yl-[(3S,5R)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394514
pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394513
1-[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-hydroxypropan-1-one
CID 97489734
N-(5-fluoropyrimidin-2-yl)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131652690
[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
[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155857322
1-[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
CID 131650836
[(3S,5R)-3-(3-fluoroanilino)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97489170
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone (CID 97489467) is [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone?
The InChIKey is OIFHABODHYNMKE-QAPCUYQASA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-14-9-21-17(22-10-14)23-15-7-18(26-11-15)4-2-6-24(12-18)16(25)13-3-1-5-20-8-13/h1,3,5,8-10,15H,2,4,6-7,11-12H2,(H,21,22,23)/t15-,18+/m1/s1.
What are the key properties of [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone?
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone has a molecular weight of 357.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97489467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).