N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine

C17H18N4 — CID 43681415

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine
SMILESCn1ncc2c1CCCC2Nc1cccc2cnccc12
InChIInChI=1S/C17H18N4/c1-21-17-7-3-6-16(14(17)11-19-21)20-15-5-2-4-12-10-18-9-8-13(12)15/h2,4-5,8-11,16,20H,3,6-7H2,1H3
InChIKeyAAEXBOWDJJSKKH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.46
Rot. Bonds2

About N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine (PubChem CID 43681415) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine
PubChem CID43681415
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine
SMILESCn1ncc2c1CCCC2Nc1cccc2cnccc12
InChIInChI=1S/C17H18N4/c1-21-17-7-3-6-16(14(17)11-19-21)20-15-5-2-4-12-10-18-9-8-13(12)15/h2,4-5,8-11,16,20H,3,6-7H2,1H3
InChIKeyAAEXBOWDJJSKKH-UHFFFAOYSA-N
XLogP3.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 63329281
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1H-indazol-7-amine
CID 43731062
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzoic acid
CID 43254716
N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 113234559
N-(2,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254589
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254699
N-(2-bromo-4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254693
(4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 97009703

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine (CID 43681415) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine is Cn1ncc2c1CCCC2Nc1cccc2cnccc12.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine?
The InChIKey is AAEXBOWDJJSKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-21-17-7-3-6-16(14(17)11-19-21)20-15-5-2-4-12-10-18-9-8-13(12)15/h2,4-5,8-11,16,20H,3,6-7H2,1H3.
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine has a molecular weight of 278.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine is sourced from PubChem (CID 43681415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).