1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

C17H18F3N3O4 — CID 126475059

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCOc1cccn2c(C(=O)N3CCC4(CC3)OCCO4)c(C(F)(F)F)nc12
InChIInChI=1S/C17H18F3N3O4/c1-25-11-3-2-6-23-12(13(17(18,19)20)21-14(11)23)15(24)22-7-4-16(5-8-22)26-9-10-27-16/h2-3,6H,4-5,7-10H2,1H3
InChIKeyBEUJGOMFBNJILS-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.34
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 126475059) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID126475059
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCOc1cccn2c(C(=O)N3CCC4(CC3)OCCO4)c(C(F)(F)F)nc12
InChIInChI=1S/C17H18F3N3O4/c1-25-11-3-2-6-23-12(13(17(18,19)20)21-14(11)23)15(24)22-7-4-16(5-8-22)26-9-10-27-16/h2-3,6H,4-5,7-10H2,1H3
InChIKeyBEUJGOMFBNJILS-UHFFFAOYSA-N
XLogP2.34
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 126475059) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is COc1cccn2c(C(=O)N3CCC4(CC3)OCCO4)c(C(F)(F)F)nc12.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is BEUJGOMFBNJILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-25-11-3-2-6-23-12(13(17(18,19)20)21-14(11)23)15(24)22-7-4-16(5-8-22)26-9-10-27-16/h2-3,6H,4-5,7-10H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 385.34 g/mol, XLogP of 2.34, 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-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 126475059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).