[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone

C16H19FN6O2 — CID 97395511

IUPAC[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C16H19FN6O2/c17-11-5-19-15(20-6-11)22-12-4-16(25-8-12)2-1-3-23(9-16)14(24)13-7-18-10-21-13/h5-7,10,12H,1-4,8-9H2,(H,18,21)(H,19,20,22)/t12-,16-/m0/s1
InChIKeyMANAONPQULTRKV-LRDDRELGSA-N
MW346.37 g/mol
LogP1.21
Rot. Bonds3

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

[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 97395511) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
PubChem CID97395511
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C16H19FN6O2/c17-11-5-19-15(20-6-11)22-12-4-16(25-8-12)2-1-3-23(9-16)14(24)13-7-18-10-21-13/h5-7,10,12H,1-4,8-9H2,(H,18,21)(H,19,20,22)/t12-,16-/m0/s1
InChIKeyMANAONPQULTRKV-LRDDRELGSA-N
XLogP1.21
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 97460464
[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
CID 97395512
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
CID 97395513
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone
CID 97395514
[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazin-2-ylmethanone
CID 97408931
[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazin-2-ylmethanone
CID 97408932
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazin-2-ylmethanone
CID 97408933
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazin-2-ylmethanone
CID 97408934
N-[(3R,3aS,7aS)-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 98777550
(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(1H-imidazol-4-yl)methanone
CID 122267237
N-[[(3S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrazine-2-carboxamide
CID 124239659
N-[(3R,3aR,7aR)-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 124780285

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone (CID 97395511) is [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCC[C@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is MANAONPQULTRKV-LRDDRELGSA-N. The full InChI is InChI=1S/C16H19FN6O2/c17-11-5-19-15(20-6-11)22-12-4-16(25-8-12)2-1-3-23(9-16)14(24)13-7-18-10-21-13/h5-7,10,12H,1-4,8-9H2,(H,18,21)(H,19,20,22)/t12-,16-/m0/s1.
What are the key properties of [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone?
[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 346.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 97395511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).