lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane

C22H30AlLiN4O4 — CID 160989993

IUPAClithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane
SMILESC1CCOC1.CCOC(=O)c1cccn2cncc12.OCc1cccn2cncc12.[AlH3].[H-].[Li+]
InChIInChI=1S/C10H10N2O2.C8H8N2O.C4H8O.Al.Li.4H/c1-2-14-10(13)8-4-3-5-12-7-11-6-9(8)12;11-5-7-2-1-3-10-6-9-4-8(7)10;1-2-4-5-3-1;;;;;;/h3-7H,2H2,1H3;1-4,6,11H,5H2;1-4H2;;;;;;/q;;;;+1;;;;-1
InChIKeyAHYCHXRHIGPKLC-UHFFFAOYSA-N
MW448.43 g/mol
LogP-0.93
Rot. Bonds3

About lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane

lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane (PubChem CID 160989993) has the molecular formula C22H30AlLiN4O4 and a molecular weight of 448.43 g/mol. Its IUPAC name is lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane.

Molecular Properties

Compound Namelithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane
PubChem CID160989993
Molecular FormulaC22H30AlLiN4O4
Molecular Weight448.43 g/mol
Exact Mass448.22
IUPAC Namelithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane
SMILESC1CCOC1.CCOC(=O)c1cccn2cncc12.OCc1cccn2cncc12.[AlH3].[H-].[Li+]
InChIInChI=1S/C10H10N2O2.C8H8N2O.C4H8O.Al.Li.4H/c1-2-14-10(13)8-4-3-5-12-7-11-6-9(8)12;11-5-7-2-1-3-10-6-9-4-8(7)10;1-2-4-5-3-1;;;;;;/h3-7H,2H2,1H3;1-4,6,11H,5H2;1-4H2;;;;;;/q;;;;+1;;;;-1
InChIKeyAHYCHXRHIGPKLC-UHFFFAOYSA-N
XLogP-0.93
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-(1H-1,3-benzimidazol-1-yl)nicotinate
CID 4298771
Adenosine-5'-mononicotinate
CID 96777
Imidazo(4,5-b)pyridine-6-carboxylic acid, 3-(2-diethylaminoethyl)-, methyl ester
CID 76055
3-(2-Phenylethyl)-3H-imidazo(4,5-b)pyridine-6-carboxylic acid
CID 76058
Imidazo(4,5-b)pyridine-6-carboxylic acid, 3-(2-diethylaminoethyl)-
CID 77675
Methyl imidazo[1,5-a]pyridine-8-carboxylate
CID 10374945
Imidazo[1,5-a]pyridine-8-carboxylic acid
CID 45088717
Methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 12132798
Methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155554029
Methyl 3-(cyclohexylamino)-2-imidazo[1,2-a]pyridin-6-ylimidazo[1,2-a]pyridine-6-carboxylate
CID 155558622
Methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155566957
(2-Phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 91662310

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane?
The IUPAC name of lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane (CID 160989993) is lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane.
What is the SMILES notation for lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane?
The canonical SMILES for lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane is C1CCOC1.CCOC(=O)c1cccn2cncc12.OCc1cccn2cncc12.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane?
The InChIKey is AHYCHXRHIGPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C8H8N2O.C4H8O.Al.Li.4H/c1-2-14-10(13)8-4-3-5-12-7-11-6-9(8)12;11-5-7-2-1-3-10-6-9-4-8(7)10;1-2-4-5-3-1;;;;;;/h3-7H,2H2,1H3;1-4,6,11H,5H2;1-4H2;;;;;;/q;;;;+1;;;;-1.
What are the key properties of lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane?
lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane has a molecular weight of 448.43 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;ethyl imidazo[1,5-a]pyridine-8-carboxylate;hydride;imidazo[1,5-a]pyridin-8-ylmethanol;oxolane is sourced from PubChem (CID 160989993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).