7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C17H16FN3 — CID 68996534

IUPAC7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(F)ccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C17H16FN3/c1-21-9-13-6-14(18)4-5-15(13)16(10-21)11-2-3-12-8-19-20-17(12)7-11/h2-8,16H,9-10H2,1H3,(H,19,20)
InChIKeyRLSNTIZLPLUYCU-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.28
Rot. Bonds1

About 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68996534) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68996534
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(F)ccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C17H16FN3/c1-21-9-13-6-14(18)4-5-15(13)16(10-21)11-2-3-12-8-19-20-17(12)7-11/h2-8,16H,9-10H2,1H3,(H,19,20)
InChIKeyRLSNTIZLPLUYCU-UHFFFAOYSA-N
XLogP3.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68996534) is 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(F)ccc2C(c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RLSNTIZLPLUYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-21-9-13-6-14(18)4-5-15(13)16(10-21)11-2-3-12-8-19-20-17(12)7-11/h2-8,16H,9-10H2,1H3,(H,19,20).
What are the key properties of 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 281.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68996534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).