lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane

C36H44AlLiN8O5 — CID 159210814

IUPAClithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane
SMILESC1CCOC1.CCOC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.[AlH3].[H-].[Li+]
InChIInChI=1S/C17H18N4O2.C15H14N4O2.C4H8O.Al.Li.4H/c1-2-23-17(22)14-7-18-21(9-14)11-15-10-20-8-13(12-3-4-12)5-6-16(20)19-15;20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;1-2-4-5-3-1;;;;;;/h5-10,12H,2-4,11H2,1H3;3-8,10H,1-2,9H2,(H,20,21);1-4H2;;;;;;/q;;;;+1;;;;-1
InChIKeyWAEJPPGTCLYTAY-UHFFFAOYSA-N
MW702.72 g/mol
LogP1.52
Rot. Bonds9

About lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane

lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane (PubChem CID 159210814) has the molecular formula C36H44AlLiN8O5 and a molecular weight of 702.72 g/mol. Its IUPAC name is lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane.

Molecular Properties

Compound Namelithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane
PubChem CID159210814
Molecular FormulaC36H44AlLiN8O5
Molecular Weight702.72 g/mol
Exact Mass702.34
IUPAC Namelithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane
SMILESC1CCOC1.CCOC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.[AlH3].[H-].[Li+]
InChIInChI=1S/C17H18N4O2.C15H14N4O2.C4H8O.Al.Li.4H/c1-2-23-17(22)14-7-18-21(9-14)11-15-10-20-8-13(12-3-4-12)5-6-16(20)19-15;20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;1-2-4-5-3-1;;;;;;/h5-10,12H,2-4,11H2,1H3;3-8,10H,1-2,9H2,(H,20,21);1-4H2;;;;;;/q;;;;+1;;;;-1
InChIKeyWAEJPPGTCLYTAY-UHFFFAOYSA-N
XLogP1.52
TPSA143.07 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.72
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane with MolForge

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Related Compounds

Benzyl 1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139487517
ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137450612
Ethyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487573
Ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139488029
Methyl 1-[2-[[4-[1-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]ethenyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylate
CID 139488157
1-[(6-Cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane
CID 159427907
6-[2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
CID 58611951
6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
CID 58611966
ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 69203273
6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
CID 69203469
1-[[6-[(3S)-3-methyl-4-[[1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carbonyl]oxymethyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 129103393
Ethyl 6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 134202558

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane?
The IUPAC name of lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane (CID 159210814) is lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane.
What is the SMILES notation for lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane?
The canonical SMILES for lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane is C1CCOC1.CCOC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane?
The InChIKey is WAEJPPGTCLYTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.C15H14N4O2.C4H8O.Al.Li.4H/c1-2-23-17(22)14-7-18-21(9-14)11-15-10-20-8-13(12-3-4-12)5-6-16(20)19-15;20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;1-2-4-5-3-1;;;;;;/h5-10,12H,2-4,11H2,1H3;3-8,10H,1-2,9H2,(H,20,21);1-4H2;;;;;;/q;;;;+1;;;;-1.
What are the key properties of lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane?
lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane has a molecular weight of 702.72 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;hydride;oxolane is sourced from PubChem (CID 159210814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).