(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C17H20N4O3 — CID 95714736

IUPAC(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1cccn2c(CC(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)cnc12
InChIInChI=1S/C17H20N4O3/c1-12-4-3-6-21-13(9-18-15(12)21)8-14(22)20-7-5-17(11-20)10-19(2)16(23)24-17/h3-4,6,9H,5,7-8,10-11H2,1-2H3/t17-/m0/s1
InChIKeyWAYUQDWKNZKOKH-KRWDZBQOSA-N
MW328.37 g/mol
LogP1.24
Rot. Bonds2

About (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 95714736) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID95714736
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1cccn2c(CC(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)cnc12
InChIInChI=1S/C17H20N4O3/c1-12-4-3-6-21-13(9-18-15(12)21)8-14(22)20-7-5-17(11-20)10-19(2)16(23)24-17/h3-4,6,9H,5,7-8,10-11H2,1-2H3/t17-/m0/s1
InChIKeyWAYUQDWKNZKOKH-KRWDZBQOSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8a-ethyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154568563
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 56749622
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 70725070
(5S)-3-methyl-7-[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723669
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone
CID 163315758
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
CID 70704986
2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171909665
1-[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 56880147
1-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 171908625
(5S)-3-methyl-7-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95719362

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 95714736) is (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1cccn2c(CC(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)cnc12.
What is the InChIKey of (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is WAYUQDWKNZKOKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-4-3-6-21-13(9-18-15(12)21)8-14(22)20-7-5-17(11-20)10-19(2)16(23)24-17/h3-4,6,9H,5,7-8,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 95714736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).