6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole

C23H33N5 — CID 177020860

IUPAC6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole
SMILESC=C1CCC(c2nn(C)c3cc(N4CCN(C(C)CC)CC4)ccc23)C(=C)N1
InChIInChI=1S/C23H33N5/c1-6-17(3)27-11-13-28(14-12-27)19-8-10-21-22(15-19)26(5)25-23(21)20-9-7-16(2)24-18(20)4/h8,10,15,17,20,24H,2,4,6-7,9,11-14H2,1,3,5H3
InChIKeySPNLGCKMRHRVCD-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.99
Rot. Bonds4

About 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole

6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole (PubChem CID 177020860) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole.

Molecular Properties

Compound Name6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole
PubChem CID177020860
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole
SMILESC=C1CCC(c2nn(C)c3cc(N4CCN(C(C)CC)CC4)ccc23)C(=C)N1
InChIInChI=1S/C23H33N5/c1-6-17(3)27-11-13-28(14-12-27)19-8-10-21-22(15-19)26(5)25-23(21)20-9-7-16(2)24-18(20)4/h8,10,15,17,20,24H,2,4,6-7,9,11-14H2,1,3,5H3
InChIKeySPNLGCKMRHRVCD-UHFFFAOYSA-N
XLogP3.99
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
CID 53379389
3-Methylsulfanyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 53494134
3-ethyl-1-phenyl-6-(piperazin-1-yl)-1H-indazole
CID 56670165
3-Ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 56683648
3-Ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
CID 56683649
1-tert-butyl-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16187824
1-[4-(4-Benzhydrylpiperazin-1-yl)butyl]indazole
CID 168288383
3-Ethyl-6-(4-methylpiperazin-1-yl)-1-phenylindazole
CID 56663311
3-Ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
CID 56666739
3-Ethyl-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole
CID 56673687
3-methyl-1-phenyl-6-(piperazin-1-yl)-1H-indazole
CID 56677001
3-Methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole
CID 56680333

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole?
The IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole (CID 177020860) is 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole.
What is the SMILES notation for 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole?
The canonical SMILES for 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole is C=C1CCC(c2nn(C)c3cc(N4CCN(C(C)CC)CC4)ccc23)C(=C)N1.
What is the InChIKey of 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole?
The InChIKey is SPNLGCKMRHRVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-6-17(3)27-11-13-28(14-12-27)19-8-10-21-22(15-19)26(5)25-23(21)20-9-7-16(2)24-18(20)4/h8,10,15,17,20,24H,2,4,6-7,9,11-14H2,1,3,5H3.
What are the key properties of 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole?
6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole has a molecular weight of 379.55 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylpiperazin-1-yl)-3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazole is sourced from PubChem (CID 177020860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).