6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole

C24H25N7 — CID 135559065

IUPAC6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
SMILESCc1cnnn1-c1ccc2c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C24H25N7/c1-16-14-25-29-31(16)19-6-7-20-22(13-19)27-28-24(20)23-12-18-11-17(5-8-21(18)26-23)15-30-9-3-2-4-10-30/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,28)
InChIKeyGVOOLHNJOQWXKE-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.59
Rot. Bonds4

About 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole

6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole (PubChem CID 135559065) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole.

Molecular Properties

Compound Name6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
PubChem CID135559065
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
SMILESCc1cnnn1-c1ccc2c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C24H25N7/c1-16-14-25-29-31(16)19-6-7-20-22(13-19)27-28-24(20)23-12-18-11-17(5-8-21(18)26-23)15-30-9-3-2-4-10-30/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,28)
InChIKeyGVOOLHNJOQWXKE-UHFFFAOYSA-N
XLogP4.59
TPSA78.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole?
The IUPAC name of 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole (CID 135559065) is 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole.
What is the SMILES notation for 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole?
The canonical SMILES for 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole is Cc1cnnn1-c1ccc2c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)n[nH]c2c1.
What is the InChIKey of 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole?
The InChIKey is GVOOLHNJOQWXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-16-14-25-29-31(16)19-6-7-20-22(13-19)27-28-24(20)23-12-18-11-17(5-8-21(18)26-23)15-30-9-3-2-4-10-30/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,28).
What are the key properties of 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole?
6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole has a molecular weight of 411.51 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyltriazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole is sourced from PubChem (CID 135559065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).