1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one

C22H24N4O4 — CID 155900331

IUPAC1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(-n2c(=O)n(CC(=O)N3CCC4(CC3)OCCO4)c3cccnc32)cc1
InChIInChI=1S/C22H24N4O4/c1-16-4-6-17(7-5-16)26-20-18(3-2-10-23-20)25(21(26)28)15-19(27)24-11-8-22(9-12-24)29-13-14-30-22/h2-7,10H,8-9,11-15H2,1H3
InChIKeyFLRWBWUVHAGRDZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one

1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 155900331) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one
PubChem CID155900331
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(-n2c(=O)n(CC(=O)N3CCC4(CC3)OCCO4)c3cccnc32)cc1
InChIInChI=1S/C22H24N4O4/c1-16-4-6-17(7-5-16)26-20-18(3-2-10-23-20)25(21(26)28)15-19(27)24-11-8-22(9-12-24)29-13-14-30-22/h2-7,10H,8-9,11-15H2,1H3
InChIKeyFLRWBWUVHAGRDZ-UHFFFAOYSA-N
XLogP1.86
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one (CID 155900331) is 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one is Cc1ccc(-n2c(=O)n(CC(=O)N3CCC4(CC3)OCCO4)c3cccnc32)cc1.
What is the InChIKey of 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is FLRWBWUVHAGRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-16-4-6-17(7-5-16)26-20-18(3-2-10-23-20)25(21(26)28)15-19(27)24-11-8-22(9-12-24)29-13-14-30-22/h2-7,10H,8-9,11-15H2,1H3.
What are the key properties of 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one?
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 408.46 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 155900331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).