3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole

C18H26N6O — CID 171993438

IUPAC3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCOc1cnc(N2CCN(Cc3nn(C)c4c3CCCC4)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-22-17-6-4-3-5-15(17)16(21-22)13-23-7-9-24(10-8-23)18-19-11-14(25-2)12-20-18/h11-12H,3-10,13H2,1-2H3
InChIKeyFRKZGLOUYGJEHJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.42
Rot. Bonds4

About 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole

3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 171993438) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole
PubChem CID171993438
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCOc1cnc(N2CCN(Cc3nn(C)c4c3CCCC4)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-22-17-6-4-3-5-15(17)16(21-22)13-23-7-9-24(10-8-23)18-19-11-14(25-2)12-20-18/h11-12H,3-10,13H2,1-2H3
InChIKeyFRKZGLOUYGJEHJ-UHFFFAOYSA-N
XLogP1.42
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole (CID 171993438) is 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole is COc1cnc(N2CCN(Cc3nn(C)c4c3CCCC4)CC2)nc1.
What is the InChIKey of 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is FRKZGLOUYGJEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22-17-6-4-3-5-15(17)16(21-22)13-23-7-9-24(10-8-23)18-19-11-14(25-2)12-20-18/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole?
3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 342.45 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 171993438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).