(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C20H24FN3O — CID 97384999

IUPAC(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESFc1ccc(CN2CCOC[C@]3(CCN(c4ccccn4)C3)C2)cc1
InChIInChI=1S/C20H24FN3O/c21-18-6-4-17(5-7-18)13-23-11-12-25-16-20(14-23)8-10-24(15-20)19-3-1-2-9-22-19/h1-7,9H,8,10-16H2/t20-/m1/s1
InChIKeyMPQIKMFGBJFJGM-HXUWFJFHSA-N
MW341.43 g/mol
LogP2.95
Rot. Bonds3

About (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384999) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384999
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESFc1ccc(CN2CCOC[C@]3(CCN(c4ccccn4)C3)C2)cc1
InChIInChI=1S/C20H24FN3O/c21-18-6-4-17(5-7-18)13-23-11-12-25-16-20(14-23)8-10-24(15-20)19-3-1-2-9-22-19/h1-7,9H,8,10-16H2/t20-/m1/s1
InChIKeyMPQIKMFGBJFJGM-HXUWFJFHSA-N
XLogP2.95
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131658072
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472267
2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651615
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472274
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
(5S)-2-pyrimidin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472314
10-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660491

Frequently Asked Questions

What is the IUPAC name of (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384999) is (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Fc1ccc(CN2CCOC[C@]3(CCN(c4ccccn4)C3)C2)cc1.
What is the InChIKey of (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is MPQIKMFGBJFJGM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-6-4-17(5-7-18)13-23-11-12-25-16-20(14-23)8-10-24(15-20)19-3-1-2-9-22-19/h1-7,9H,8,10-16H2/t20-/m1/s1.
What are the key properties of (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 341.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).