(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C18H23N5O — CID 97472274

IUPAC(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1cnc(N2CCOC[C@]3(CCN(c4ccccn4)C3)C2)nc1
InChIInChI=1S/C18H23N5O/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16/h2-4,6,10-11H,5,7-9,12-14H2,1H3/t18-/m0/s1
InChIKeyGPZHVKPOEZKRJJ-SFHVURJKSA-N
MW325.42 g/mol
LogP1.91
Rot. Bonds2

About (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97472274) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97472274
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1cnc(N2CCOC[C@]3(CCN(c4ccccn4)C3)C2)nc1
InChIInChI=1S/C18H23N5O/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16/h2-4,6,10-11H,5,7-9,12-14H2,1H3/t18-/m0/s1
InChIKeyGPZHVKPOEZKRJJ-SFHVURJKSA-N
XLogP1.91
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131658072
(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone
CID 97385023
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472267
(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384999
pyridin-2-yl-[(5R)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472293
pyridin-4-yl-(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
CID 131640073
10-(5-methylpyrimidin-2-yl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 134070760
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072920
(5S)-2-[(1-methylimidazol-2-yl)methyl]-10-(5-methylpyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472103

Frequently Asked Questions

What is the IUPAC name of (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97472274) is (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1cnc(N2CCOC[C@]3(CCN(c4ccccn4)C3)C2)nc1.
What is the InChIKey of (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is GPZHVKPOEZKRJJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16/h2-4,6,10-11H,5,7-9,12-14H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 325.42 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97472274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).