5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol

C18H18N4O — CID 129282520

IUPAC5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCn1ncc2c1CCC(C1c3ccccc3-c3cncn31)C2O
InChIInChI=1S/C18H18N4O/c1-21-15-7-6-13(18(23)14(15)8-20-21)17-12-5-3-2-4-11(12)16-9-19-10-22(16)17/h2-5,8-10,13,17-18,23H,6-7H2,1H3
InChIKeyYGZYVSXXPMBBFJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.48
Rot. Bonds1

About 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol

5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 129282520) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID129282520
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCn1ncc2c1CCC(C1c3ccccc3-c3cncn31)C2O
InChIInChI=1S/C18H18N4O/c1-21-15-7-6-13(18(23)14(15)8-20-21)17-12-5-3-2-4-11(12)16-9-19-10-22(16)17/h2-5,8-10,13,17-18,23H,6-7H2,1H3
InChIKeyYGZYVSXXPMBBFJ-UHFFFAOYSA-N
XLogP2.48
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol (CID 129282520) is 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol is Cn1ncc2c1CCC(C1c3ccccc3-c3cncn31)C2O.
What is the InChIKey of 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is YGZYVSXXPMBBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-21-15-7-6-13(18(23)14(15)8-20-21)17-12-5-3-2-4-11(12)16-9-19-10-22(16)17/h2-5,8-10,13,17-18,23H,6-7H2,1H3.
What are the key properties of 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 306.37 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 129282520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).