5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline

C22H20N4 — CID 118664655

IUPAC5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccc(-n2ncc3ccc(-c4cccc5c4CCNC5)cc32)n1
InChIInChI=1S/C22H20N4/c1-15-4-2-7-22(25-15)26-21-12-16(8-9-18(21)14-24-26)19-6-3-5-17-13-23-11-10-20(17)19/h2-9,12,14,23H,10-11,13H2,1H3
InChIKeyOROVGJDLEXMGEX-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.04
Rot. Bonds2

About 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline

5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 118664655) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID118664655
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccc(-n2ncc3ccc(-c4cccc5c4CCNC5)cc32)n1
InChIInChI=1S/C22H20N4/c1-15-4-2-7-22(25-15)26-21-12-16(8-9-18(21)14-24-26)19-6-3-5-17-13-23-11-10-20(17)19/h2-9,12,14,23H,10-11,13H2,1H3
InChIKeyOROVGJDLEXMGEX-UHFFFAOYSA-N
XLogP4.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 118664662
3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-5-nitro-1H-pyridin-4-one
CID 118663819
6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
CID 118664464
2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 118663756
N-methyl-1-[2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-yl]methanimine
CID 130249629
N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methanamine
CID 154826505
2-(aminomethyl)-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-4-amine
CID 118664082
5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole
CID 140798453
5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557786
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
CID 118664991
N-methyl-N-[5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3-pyridinyl]acetamide
CID 118664686
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline (CID 118664655) is 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline is Cc1cccc(-n2ncc3ccc(-c4cccc5c4CCNC5)cc32)n1.
What is the InChIKey of 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OROVGJDLEXMGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-15-4-2-7-22(25-15)26-21-12-16(8-9-18(21)14-24-26)19-6-3-5-17-13-23-11-10-20(17)19/h2-9,12,14,23H,10-11,13H2,1H3.
What are the key properties of 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline?
5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 340.43 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 118664655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).