1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone

C20H20N4O3 — CID 46277257

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cnc3cccnc32)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H20N4O3/c25-19(23-9-6-20(7-10-23)26-11-12-27-20)15-3-1-4-16(13-15)24-14-22-17-5-2-8-21-18(17)24/h1-5,8,13-14H,6-7,9-12H2
InChIKeyIVVJEEBLBNIZLS-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.40
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone (PubChem CID 46277257) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone
PubChem CID46277257
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cnc3cccnc32)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H20N4O3/c25-19(23-9-6-20(7-10-23)26-11-12-27-20)15-3-1-4-16(13-15)24-14-22-17-5-2-8-21-18(17)24/h1-5,8,13-14H,6-7,9-12H2
InChIKeyIVVJEEBLBNIZLS-UHFFFAOYSA-N
XLogP2.40
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanone
CID 20916271
(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 46277244
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrrolidin-2-one
CID 3240026
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone
CID 109174019
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
[3-(5-bromoimidazo[4,5-b]pyridin-3-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 89494171
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone
CID 4671505
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
CID 53069710

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone (CID 46277257) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone is O=C(c1cccc(-n2cnc3cccnc32)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone?
The InChIKey is IVVJEEBLBNIZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(23-9-6-20(7-10-23)26-11-12-27-20)15-3-1-4-16(13-15)24-14-22-17-5-2-8-21-18(17)24/h1-5,8,13-14H,6-7,9-12H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone has a molecular weight of 364.41 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 46277257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).