5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

C17H17N3 — CID 56865200

IUPAC5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2[nH]nc(-c3cccc4c3CCNC4)c2c1
InChIInChI=1S/C17H17N3/c1-11-5-6-16-15(9-11)17(20-19-16)14-4-2-3-12-10-18-8-7-13(12)14/h2-6,9,18H,7-8,10H2,1H3,(H,19,20)
InChIKeyCHBGQUYHXATEDY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.18
Rot. Bonds1

About 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56865200) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID56865200
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2[nH]nc(-c3cccc4c3CCNC4)c2c1
InChIInChI=1S/C17H17N3/c1-11-5-6-16-15(9-11)17(20-19-16)14-4-2-3-12-10-18-8-7-13(12)14/h2-6,9,18H,7-8,10H2,1H3,(H,19,20)
InChIKeyCHBGQUYHXATEDY-UHFFFAOYSA-N
XLogP3.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 56865200) is 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2[nH]nc(-c3cccc4c3CCNC4)c2c1.
What is the InChIKey of 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CHBGQUYHXATEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-5-6-16-15(9-11)17(20-19-16)14-4-2-3-12-10-18-8-7-13(12)14/h2-6,9,18H,7-8,10H2,1H3,(H,19,20).
What are the key properties of 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56865200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).