5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

C17H16FN3 — CID 56865514

IUPAC5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1nc(-c2cccc3c2CCNC3)c2cc(F)ccc21
InChIInChI=1S/C17H16FN3/c1-21-16-6-5-12(18)9-15(16)17(20-21)14-4-2-3-11-10-19-8-7-13(11)14/h2-6,9,19H,7-8,10H2,1H3
InChIKeyUOHTZLFLXADFQP-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.03
Rot. Bonds1

About 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56865514) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID56865514
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1nc(-c2cccc3c2CCNC3)c2cc(F)ccc21
InChIInChI=1S/C17H16FN3/c1-21-16-6-5-12(18)9-15(16)17(20-21)14-4-2-3-11-10-19-8-7-13(11)14/h2-6,9,19H,7-8,10H2,1H3
InChIKeyUOHTZLFLXADFQP-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 56865514) is 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is Cn1nc(-c2cccc3c2CCNC3)c2cc(F)ccc21.
What is the InChIKey of 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UOHTZLFLXADFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-21-16-6-5-12(18)9-15(16)17(20-21)14-4-2-3-11-10-19-8-7-13(11)14/h2-6,9,19H,7-8,10H2,1H3.
What are the key properties of 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 281.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56865514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).