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

C17H19FN4O2 — CID 131661585

IUPAC9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CC(Oc4cccnc4)CO3)C2)nc1
InChIInChI=1S/C17H19FN4O2/c18-13-8-20-16(21-9-13)22-6-2-4-17(12-22)7-15(11-23-17)24-14-3-1-5-19-10-14/h1,3,5,8-10,15H,2,4,6-7,11-12H2
InChIKeyRSILPRNWDAOVQI-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.22
Rot. Bonds3

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

9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 131661585) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID131661585
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CC(Oc4cccnc4)CO3)C2)nc1
InChIInChI=1S/C17H19FN4O2/c18-13-8-20-16(21-9-13)22-6-2-4-17(12-22)7-15(11-23-17)24-14-3-1-5-19-10-14/h1,3,5,8-10,15H,2,4,6-7,11-12H2
InChIKeyRSILPRNWDAOVQI-UHFFFAOYSA-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

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Related Compounds

Gdc-0134
CID 86298636
5-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-pyrimidine
CID 10015970
Tert-butyl 4-{5-[(3-methoxypyridin-4-yl)methoxy]pyrimidin-2-yl}piperazine-1-carboxylate
CID 51029782
5-(2-fluoropyridin-4-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76280988
3-(difluoromethoxy)-5-[2-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117678422
5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(1-phenylethoxy)pyridin-2-amine
CID 117688570
3-(difluoromethoxy)-5-[2-(3-fluoro-4-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688571
3-(difluoromethoxy)-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688605
3-(difluoromethoxy)-5-[2-(3,3-difluoro-2-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688750
(1R,5R,8R)-Isopropyl 8-(5-Methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 51354342
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-[[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 71085889
5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 86304617

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane (CID 131661585) is 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane is Fc1cnc(N2CCCC3(CC(Oc4cccnc4)CO3)C2)nc1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is RSILPRNWDAOVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-8-20-16(21-9-13)22-6-2-4-17(12-22)7-15(11-23-17)24-14-3-1-5-19-10-14/h1,3,5,8-10,15H,2,4,6-7,11-12H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane?
9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-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 9-(5-fluoropyrimidin-2-yl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 131661585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).