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

C17H24N6 — CID 171333947

IUPAC3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCc1ccnc(N2CCN(Cc3n[nH]c4c3CCCC4)CC2)n1
InChIInChI=1S/C17H24N6/c1-13-6-7-18-17(19-13)23-10-8-22(9-11-23)12-16-14-4-2-3-5-15(14)20-21-16/h6-7H,2-5,8-12H2,1H3,(H,20,21)
InChIKeyLOMDVPFELMVESF-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.71
Rot. Bonds3

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

3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 171333947) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID171333947
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCc1ccnc(N2CCN(Cc3n[nH]c4c3CCCC4)CC2)n1
InChIInChI=1S/C17H24N6/c1-13-6-7-18-17(19-13)23-10-8-22(9-11-23)12-16-14-4-2-3-5-15(14)20-21-16/h6-7H,2-5,8-12H2,1H3,(H,20,21)
InChIKeyLOMDVPFELMVESF-UHFFFAOYSA-N
XLogP1.71
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole (CID 171333947) is 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole is Cc1ccnc(N2CCN(Cc3n[nH]c4c3CCCC4)CC2)n1.
What is the InChIKey of 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is LOMDVPFELMVESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-13-6-7-18-17(19-13)23-10-8-22(9-11-23)12-16-14-4-2-3-5-15(14)20-21-16/h6-7H,2-5,8-12H2,1H3,(H,20,21).
What are the key properties of 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 312.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 171333947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).