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

C18H26N6 — CID 163348966

IUPAC2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole
SMILESCc1cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)ncn1
InChIInChI=1S/C18H26N6/c1-14-11-18(20-13-19-14)24-9-7-23(8-10-24)12-17-15-5-3-4-6-16(15)21-22(17)2/h11,13H,3-10,12H2,1-2H3
InChIKeyHXHMUKBFOXHWIL-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.72
Rot. Bonds3

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

2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole (PubChem CID 163348966) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole
PubChem CID163348966
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole
SMILESCc1cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)ncn1
InChIInChI=1S/C18H26N6/c1-14-11-18(20-13-19-14)24-9-7-23(8-10-24)12-17-15-5-3-4-6-16(15)21-22(17)2/h11,13H,3-10,12H2,1-2H3
InChIKeyHXHMUKBFOXHWIL-UHFFFAOYSA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole (CID 163348966) is 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole is Cc1cc(N2CCN(Cc3c4c(nn3C)CCCC4)CC2)ncn1.
What is the InChIKey of 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is HXHMUKBFOXHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-14-11-18(20-13-19-14)24-9-7-23(8-10-24)12-17-15-5-3-4-6-16(15)21-22(17)2/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole?
2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 326.45 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 163348966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).