1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole

C16H24N4 — CID 170862469

IUPAC1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
SMILESCN1CCN(CCCc2cccc3c2cnn3C)CC1
InChIInChI=1S/C16H24N4/c1-18-9-11-20(12-10-18)8-4-6-14-5-3-7-16-15(14)13-17-19(16)2/h3,5,7,13H,4,6,8-12H2,1-2H3
InChIKeyKENFUZVDTDWNCU-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.75
Rot. Bonds4

About 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole

1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole (PubChem CID 170862469) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
PubChem CID170862469
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
SMILESCN1CCN(CCCc2cccc3c2cnn3C)CC1
InChIInChI=1S/C16H24N4/c1-18-9-11-20(12-10-18)8-4-6-14-5-3-7-16-15(14)13-17-19(16)2/h3,5,7,13H,4,6,8-12H2,1-2H3
InChIKeyKENFUZVDTDWNCU-UHFFFAOYSA-N
XLogP1.75
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Indol-1-yl-methyl-pyridin-4-yl-amine
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Butyl-indol-1-yl-pyridin-4-yl-amine
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(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
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5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
1-Methyl-1H-indazole
CID 139456
1-methyl-1H-indazol-5-amine
CID 2768032
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole?
The IUPAC name of 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole (CID 170862469) is 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole.
What is the SMILES notation for 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole?
The canonical SMILES for 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole is CN1CCN(CCCc2cccc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole?
The InChIKey is KENFUZVDTDWNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-18-9-11-20(12-10-18)8-4-6-14-5-3-7-16-15(14)13-17-19(16)2/h3,5,7,13H,4,6,8-12H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole?
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole has a molecular weight of 272.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole is sourced from PubChem (CID 170862469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).