(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C17H21N3O3 — CID 90537438

IUPAC(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C17H21N3O3/c1-12-14(20-7-5-4-6-13(20)18-12)15(21)19-8-17(9-19)10-22-16(2,3)23-11-17/h4-7H,8-11H2,1-3H3
InChIKeyZYXMNOHVJOBKGJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.87
Rot. Bonds1

About (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 90537438) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID90537438
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C17H21N3O3/c1-12-14(20-7-5-4-6-13(20)18-12)15(21)19-8-17(9-19)10-22-16(2,3)23-11-17/h4-7H,8-11H2,1-3H3
InChIKeyZYXMNOHVJOBKGJ-UHFFFAOYSA-N
XLogP1.87
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 90537438) is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is Cc1nc2ccccn2c1C(=O)N1CC2(COC(C)(C)OC2)C1.
What is the InChIKey of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is ZYXMNOHVJOBKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-14(20-7-5-4-6-13(20)18-12)15(21)19-8-17(9-19)10-22-16(2,3)23-11-17/h4-7H,8-11H2,1-3H3.
What are the key properties of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 315.37 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 90537438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).