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

C18H19N3 — CID 68994309

IUPAC4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(C)CC2c1ccc2cn[nH]c2c1
InChIInChI=1S/C18H19N3/c1-12-3-6-16-15(7-12)10-21(2)11-17(16)13-4-5-14-9-19-20-18(14)8-13/h3-9,17H,10-11H2,1-2H3,(H,19,20)
InChIKeyPIJRDIFVKLZSQX-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.45
Rot. Bonds1

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

4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68994309) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID68994309
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(C)CC2c1ccc2cn[nH]c2c1
InChIInChI=1S/C18H19N3/c1-12-3-6-16-15(7-12)10-21(2)11-17(16)13-4-5-14-9-19-20-18(14)8-13/h3-9,17H,10-11H2,1-2H3,(H,19,20)
InChIKeyPIJRDIFVKLZSQX-UHFFFAOYSA-N
XLogP3.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole
CID 9996081
4-Methyl-1H-indazole
CID 820806
5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
US10087191, Example 94
CID 124148318
(E)-3-[4-[(6S,8R)-7-(2,2-difluoropropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3,5-difluorophenyl]prop-2-enoic acid
CID 132019596
(E)-3-[3,5-difluoro-4-[(6S,8R)-7-(2-fluoro-2-methylpropyl)-6,8-dimethyl-8,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
CID 132046120
(E)-3-[4-[(6R,8R)-8-methyl-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
CID 134610856
(E)-3-[3,5-difluoro-4-[(6S,8R)-8-methyl-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
CID 155529068
(E)-3-[4-[(6R,8R)-7-(2-fluoro-2-methylpropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
CID 155539747
2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 2812597
N-(1-benzylpiperidin-4-yl)-1H-indazol-5-amine
CID 9836178
5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-indazole
CID 10688762

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline (CID 68994309) is 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1)CN(C)CC2c1ccc2cn[nH]c2c1.
What is the InChIKey of 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PIJRDIFVKLZSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-3-6-16-15(7-12)10-21(2)11-17(16)13-4-5-14-9-19-20-18(14)8-13/h3-9,17H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 277.37 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68994309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).