(5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C18H24N4O2 — CID 95728806

IUPAC(5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc2nc(CN3CCC[C@]4(CC3)CN(C)C(=O)O4)cn2c1
InChIInChI=1S/C18H24N4O2/c1-14-4-5-16-19-15(12-22(16)10-14)11-21-8-3-6-18(7-9-21)13-20(2)17(23)24-18/h4-5,10,12H,3,6-9,11,13H2,1-2H3/t18-/m0/s1
InChIKeyQEKKDOIWKPOGBQ-SFHVURJKSA-N
MW328.42 g/mol
LogP2.45
Rot. Bonds2

About (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95728806) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95728806
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc2nc(CN3CCC[C@]4(CC3)CN(C)C(=O)O4)cn2c1
InChIInChI=1S/C18H24N4O2/c1-14-4-5-16-19-15(12-22(16)10-14)11-21-8-3-6-18(7-9-21)13-20(2)17(23)24-18/h4-5,10,12H,3,6-9,11,13H2,1-2H3/t18-/m0/s1
InChIKeyQEKKDOIWKPOGBQ-SFHVURJKSA-N
XLogP2.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95728806) is (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1ccc2nc(CN3CCC[C@]4(CC3)CN(C)C(=O)O4)cn2c1.
What is the InChIKey of (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is QEKKDOIWKPOGBQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-4-5-16-19-15(12-22(16)10-14)11-21-8-3-6-18(7-9-21)13-20(2)17(23)24-18/h4-5,10,12H,3,6-9,11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-9-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95728806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).