6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole

C21H32N4O — CID 164567245

IUPAC6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole
SMILESCOc1cc2nn(C3CCC(CN4CCN(C)CC4)CC3)cc2cc1C
InChIInChI=1S/C21H32N4O/c1-16-12-18-15-25(22-20(18)13-21(16)26-3)19-6-4-17(5-7-19)14-24-10-8-23(2)9-11-24/h12-13,15,17,19H,4-11,14H2,1-3H3
InChIKeyZJUNKFSZWJQUMA-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.33
Rot. Bonds4

About 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole

6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole (PubChem CID 164567245) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole.

Molecular Properties

Compound Name6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole
PubChem CID164567245
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole
SMILESCOc1cc2nn(C3CCC(CN4CCN(C)CC4)CC3)cc2cc1C
InChIInChI=1S/C21H32N4O/c1-16-12-18-15-25(22-20(18)13-21(16)26-3)19-6-4-17(5-7-19)14-24-10-8-23(2)9-11-24/h12-13,15,17,19H,4-11,14H2,1-3H3
InChIKeyZJUNKFSZWJQUMA-UHFFFAOYSA-N
XLogP3.33
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole?
The IUPAC name of 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole (CID 164567245) is 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole.
What is the SMILES notation for 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole?
The canonical SMILES for 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole is COc1cc2nn(C3CCC(CN4CCN(C)CC4)CC3)cc2cc1C.
What is the InChIKey of 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole?
The InChIKey is ZJUNKFSZWJQUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-16-12-18-15-25(22-20(18)13-21(16)26-3)19-6-4-17(5-7-19)14-24-10-8-23(2)9-11-24/h12-13,15,17,19H,4-11,14H2,1-3H3.
What are the key properties of 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole?
6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole has a molecular weight of 356.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]indazole is sourced from PubChem (CID 164567245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).