3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole

C26H28N6O — CID 68906037

IUPAC3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole
SMILESCOc1ccc2ccc(-c3n[nH]c4ccc(N5C=C(CN6CCCCC6)NN5)cc34)cc2c1
InChIInChI=1S/C26H28N6O/c1-33-23-9-7-18-5-6-19(13-20(18)14-23)26-24-15-22(8-10-25(24)28-29-26)32-17-21(27-30-32)16-31-11-3-2-4-12-31/h5-10,13-15,17,27,30H,2-4,11-12,16H2,1H3,(H,28,29)
InChIKeyKGRRLMXJFWCFRG-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.55
Rot. Bonds5

About 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole

3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole (PubChem CID 68906037) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole
PubChem CID68906037
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole
SMILESCOc1ccc2ccc(-c3n[nH]c4ccc(N5C=C(CN6CCCCC6)NN5)cc34)cc2c1
InChIInChI=1S/C26H28N6O/c1-33-23-9-7-18-5-6-19(13-20(18)14-23)26-24-15-22(8-10-25(24)28-29-26)32-17-21(27-30-32)16-31-11-3-2-4-12-31/h5-10,13-15,17,27,30H,2-4,11-12,16H2,1H3,(H,28,29)
InChIKeyKGRRLMXJFWCFRG-UHFFFAOYSA-N
XLogP4.55
TPSA68.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole?
The IUPAC name of 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole (CID 68906037) is 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole?
The canonical SMILES for 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole is COc1ccc2ccc(-c3n[nH]c4ccc(N5C=C(CN6CCCCC6)NN5)cc34)cc2c1.
What is the InChIKey of 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole?
The InChIKey is KGRRLMXJFWCFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-33-23-9-7-18-5-6-19(13-20(18)14-23)26-24-15-22(8-10-25(24)28-29-26)32-17-21(27-30-32)16-31-11-3-2-4-12-31/h5-10,13-15,17,27,30H,2-4,11-12,16H2,1H3,(H,28,29).
What are the key properties of 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole?
3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole has a molecular weight of 440.55 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole is sourced from PubChem (CID 68906037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).