(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C18H25N5O — CID 97472267

IUPAC(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1ccnc1CN1CCOC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H25N5O/c1-21-9-7-20-17(21)12-22-10-11-24-15-18(13-22)5-8-23(14-18)16-4-2-3-6-19-16/h2-4,6-7,9H,5,8,10-15H2,1H3/t18-/m0/s1
InChIKeyIIEGGLVBABHVBF-SFHVURJKSA-N
MW327.43 g/mol
LogP1.54
Rot. Bonds3

About (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97472267) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97472267
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1ccnc1CN1CCOC[C@@]2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H25N5O/c1-21-9-7-20-17(21)12-22-10-11-24-15-18(13-22)5-8-23(14-18)16-4-2-3-6-19-16/h2-4,6-7,9H,5,8,10-15H2,1H3/t18-/m0/s1
InChIKeyIIEGGLVBABHVBF-SFHVURJKSA-N
XLogP1.54
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131649078
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472318
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131658072
(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384999
(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
(5S)-2-[(1-methylimidazol-2-yl)methyl]-10-(5-methylpyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472103
6-[(6S)-2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile
CID 97494753
(5S)-10-[(5-methylfuran-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384880
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472274
6-[2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]pyridine-2-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 155856859
2-[(1-methylimidazol-2-yl)methyl]-10-(5-methylpyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155846787

Frequently Asked Questions

What is the IUPAC name of (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97472267) is (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Cn1ccnc1CN1CCOC[C@@]2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is IIEGGLVBABHVBF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N5O/c1-21-9-7-20-17(21)12-22-10-11-24-15-18(13-22)5-8-23(14-18)16-4-2-3-6-19-16/h2-4,6-7,9H,5,8,10-15H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 327.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97472267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).