5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one

C22H18N4O — CID 118664662

IUPAC5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1cccc(-n2ncc3ccc(-c4cccc5c4CCNC5=O)cc32)n1
InChIInChI=1S/C22H18N4O/c1-14-4-2-7-21(25-14)26-20-12-15(8-9-16(20)13-24-26)17-5-3-6-19-18(17)10-11-23-22(19)27/h2-9,12-13H,10-11H2,1H3,(H,23,27)
InChIKeyJUUYAVSKYMMETL-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.68
Rot. Bonds2

About 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one

5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 118664662) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID118664662
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1cccc(-n2ncc3ccc(-c4cccc5c4CCNC5=O)cc32)n1
InChIInChI=1S/C22H18N4O/c1-14-4-2-7-21(25-14)26-20-12-15(8-9-16(20)13-24-26)17-5-3-6-19-18(17)10-11-23-22(19)27/h2-9,12-13H,10-11H2,1H3,(H,23,27)
InChIKeyJUUYAVSKYMMETL-UHFFFAOYSA-N
XLogP3.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline
CID 118664655
3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-5-nitro-1H-pyridin-4-one
CID 118663819
2-(aminomethyl)-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-4-amine
CID 118664082
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-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
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
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
3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
CID 118663896
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 118664662) is 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one is Cc1cccc(-n2ncc3ccc(-c4cccc5c4CCNC5=O)cc32)n1.
What is the InChIKey of 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is JUUYAVSKYMMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-4-2-7-21(25-14)26-20-12-15(8-9-16(20)13-24-26)17-5-3-6-19-18(17)10-11-23-22(19)27/h2-9,12-13H,10-11H2,1H3,(H,23,27).
What are the key properties of 5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one?
5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 354.41 g/mol, XLogP of 3.68, 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]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 118664662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).