(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone

C18H23N3O3 — CID 164690307

IUPAC(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCC1(O)CCOC2(CCN(C(=O)c3ccc4nccn4c3)CC2)C1
InChIInChI=1S/C18H23N3O3/c1-17(23)6-11-24-18(13-17)4-8-20(9-5-18)16(22)14-2-3-15-19-7-10-21(15)12-14/h2-3,7,10,12,23H,4-6,8-9,11,13H2,1H3
InChIKeyCCXMYPYIHOUTGA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds1

About (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone

(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 164690307) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID164690307
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCC1(O)CCOC2(CCN(C(=O)c3ccc4nccn4c3)CC2)C1
InChIInChI=1S/C18H23N3O3/c1-17(23)6-11-24-18(13-17)4-8-20(9-5-18)16(22)14-2-3-15-19-7-10-21(15)12-14/h2-3,7,10,12,23H,4-6,8-9,11,13H2,1H3
InChIKeyCCXMYPYIHOUTGA-UHFFFAOYSA-N
XLogP1.87
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 165427502
(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129397514
azepan-1-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110704027
imidazo[1,2-a]pyridin-6-yl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163310408
1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164694845
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 135108285
2,7-diazaspiro[4.4]nonan-2-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110475124
imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone
CID 122152246
(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135120395
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 164688171
[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 163305437
[4-(cyclopropylmethylamino)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119622933

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone (CID 164690307) is (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone is CC1(O)CCOC2(CCN(C(=O)c3ccc4nccn4c3)CC2)C1.
What is the InChIKey of (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is CCXMYPYIHOUTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-17(23)6-11-24-18(13-17)4-8-20(9-5-18)16(22)14-2-3-15-19-7-10-21(15)12-14/h2-3,7,10,12,23H,4-6,8-9,11,13H2,1H3.
What are the key properties of (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone?
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 329.40 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 164690307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).