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

C17H17N3 — CID 11687579

IUPAC4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C17H17N3/c1-20-10-14-4-2-3-5-15(14)16(11-20)12-6-7-13-9-18-19-17(13)8-12/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyDYQBWKPHLQJDJC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds1

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

4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 11687579) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID11687579
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C17H17N3/c1-20-10-14-4-2-3-5-15(14)16(11-20)12-6-7-13-9-18-19-17(13)8-12/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyDYQBWKPHLQJDJC-UHFFFAOYSA-N
XLogP3.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
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
(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
N-(1-benzylpiperidin-3-yl)-1H-indazol-5-amine
CID 9857714
5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-indazole
CID 10688762
N-(1-isobutylpiperidin-3-yl)-1H-indazol-5-amine
CID 17838157
N-(1-Ethyl-4-piperidyl)-N-(1H-5-indazolyl)-amine
CID 17838238

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 11687579) is 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is DYQBWKPHLQJDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-20-10-14-4-2-3-5-15(14)16(11-20)12-6-7-13-9-18-19-17(13)8-12/h2-9,16H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 263.34 g/mol, XLogP of 3.14, 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-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11687579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).