5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole

C20H25N5 — CID 171698004

IUPAC5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole
SMILESCCN1CCN(Cc2ccc(-c3cc4cn[nH]c4cc3C)nc2)CC1
InChIInChI=1S/C20H25N5/c1-3-24-6-8-25(9-7-24)14-16-4-5-19(21-12-16)18-11-17-13-22-23-20(17)10-15(18)2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,22,23)
InChIKeyXKEHBGFGFZQCLH-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.07
Rot. Bonds4

About 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole

5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole (PubChem CID 171698004) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole.

Molecular Properties

Compound Name5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole
PubChem CID171698004
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole
SMILESCCN1CCN(Cc2ccc(-c3cc4cn[nH]c4cc3C)nc2)CC1
InChIInChI=1S/C20H25N5/c1-3-24-6-8-25(9-7-24)14-16-4-5-19(21-12-16)18-11-17-13-22-23-20(17)10-15(18)2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,22,23)
InChIKeyXKEHBGFGFZQCLH-UHFFFAOYSA-N
XLogP3.07
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
8-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoline
CID 119071430
1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
CID 122520466
5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
CID 74242847
5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine;4-methyl-3-[(4-methylpiperazin-1-yl)methyl]aniline
CID 161377153
N-(1-ethylazepan-4-yl)-1H-indazol-6-amine
CID 65073550
[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol
CID 74237692
ethane;1-ethylpiperidine;1H-indazole
CID 177186365
2-[4-(1H-indazol-6-ylmethyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 127720538
5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine
CID 171675677
4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-6-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine
CID 175714333

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole?
The IUPAC name of 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole (CID 171698004) is 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole.
What is the SMILES notation for 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole?
The canonical SMILES for 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole is CCN1CCN(Cc2ccc(-c3cc4cn[nH]c4cc3C)nc2)CC1.
What is the InChIKey of 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole?
The InChIKey is XKEHBGFGFZQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-3-24-6-8-25(9-7-24)14-16-4-5-19(21-12-16)18-11-17-13-22-23-20(17)10-15(18)2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,22,23).
What are the key properties of 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole?
5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole has a molecular weight of 335.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-methyl-1H-indazole is sourced from PubChem (CID 171698004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).