lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate

C14H16LiN3O3 — CID 164526522

IUPAClithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
SMILESO=C([O-])c1ccc2c(cnn2CCN2CCOCC2)c1.[Li+]
InChIInChI=1S/C14H17N3O3.Li/c18-14(19)11-1-2-13-12(9-11)10-15-17(13)4-3-16-5-7-20-8-6-16;/h1-2,9-10H,3-8H2,(H,18,19);/q;+1/p-1
InChIKeyFLHBVVMHYYHDLJ-UHFFFAOYSA-M
MW281.24 g/mol
LogP-3.26
Rot. Bonds4

About lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate

lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate (PubChem CID 164526522) has the molecular formula C14H16LiN3O3 and a molecular weight of 281.24 g/mol. Its IUPAC name is lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate.

Molecular Properties

Compound Namelithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
PubChem CID164526522
Molecular FormulaC14H16LiN3O3
Molecular Weight281.24 g/mol
Exact Mass281.14
IUPAC Namelithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
SMILESO=C([O-])c1ccc2c(cnn2CCN2CCOCC2)c1.[Li+]
InChIInChI=1S/C14H17N3O3.Li/c18-14(19)11-1-2-13-12(9-11)10-15-17(13)4-3-16-5-7-20-8-6-16;/h1-2,9-10H,3-8H2,(H,18,19);/q;+1/p-1
InChIKeyFLHBVVMHYYHDLJ-UHFFFAOYSA-M
XLogP-3.26
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 5-3.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate?
The IUPAC name of lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate (CID 164526522) is lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate.
What is the SMILES notation for lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate?
The canonical SMILES for lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate is O=C([O-])c1ccc2c(cnn2CCN2CCOCC2)c1.[Li+].
What is the InChIKey of lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate?
The InChIKey is FLHBVVMHYYHDLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17N3O3.Li/c18-14(19)11-1-2-13-12(9-11)10-15-17(13)4-3-16-5-7-20-8-6-16;/h1-2,9-10H,3-8H2,(H,18,19);/q;+1/p-1.
What are the key properties of lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate?
lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate has a molecular weight of 281.24 g/mol, XLogP of -3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate is sourced from PubChem (CID 164526522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).