(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane

C17H19FN4O2 — CID 97419581

IUPAC(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)nc1
InChIInChI=1S/C17H19FN4O2/c18-13-9-20-16(21-10-13)22-7-3-5-17(12-22)8-14(11-23-17)24-15-4-1-2-6-19-15/h1-2,4,6,9-10,14H,3,5,7-8,11-12H2/t14-,17+/m1/s1
InChIKeyQYRVCZOATWLUTC-PBHICJAKSA-N
MW330.36 g/mol
LogP2.22
Rot. Bonds3

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

(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97419581) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID97419581
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)nc1
InChIInChI=1S/C17H19FN4O2/c18-13-9-20-16(21-10-13)22-7-3-5-17(12-22)8-14(11-23-17)24-15-4-1-2-6-19-15/h1-2,4,6,9-10,14H,3,5,7-8,11-12H2/t14-,17+/m1/s1
InChIKeyQYRVCZOATWLUTC-PBHICJAKSA-N
XLogP2.22
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

5-{2-Fluoro-4-[2-(1-methylethoxy)pyridin-3-yl]phenyl}pyrimidin-2-amine
CID 90312795
5-{2-Fluoro-4-[2-(tetrahydro-2H-pyran-4-yloxy)pyridin-3-yl]phenyl}pyrimidin-2-amine
CID 90314011
(2R)-2-({3-[4-(2-Aminopyrimidin-5-yl)-3-fluorophenyl]pyridin-2-yl}oxy)propan-1-ol
CID 90314460
US9908897, Example 42
CID 118960462
2-{3-[(2-Fluorophenoxy)methyl]-1-piperidinyl}-4-(3-pyridinyl)pyrimidine
CID 72859054
2-[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 54670582
4-Morpholin-4-yl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-1,3,5-triazine-2-carbonitrile
CID 78322801
(2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol
CID 90314672
5-(6-Morpholino-4-((tetrahydrofuran-3-yl)oxy)pyridin-2-yl)pyrimidin-2-amine
CID 146177529
Pyridine derivative 13
CID 73213414
8-{5-Methyl-6-[(2-methyl-3-pyridinyl)oxy]-4-pyrimidinyl}-1-oxa-8-azaspiro[4.5]decane
CID 56867005
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419636

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane (CID 97419581) is (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane is Fc1cnc(N2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)nc1.
What is the InChIKey of (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is QYRVCZOATWLUTC-PBHICJAKSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-9-20-16(21-10-13)22-7-3-5-17(12-22)8-14(11-23-17)24-15-4-1-2-6-19-15/h1-2,4,6,9-10,14H,3,5,7-8,11-12H2/t14-,17+/m1/s1.
What are the key properties of (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 330.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97419581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).