(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

C23H21FN4 — CID 42525614

IUPAC(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESFc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cccc2cnccc12
InChIInChI=1S/C23H21FN4/c24-20-7-1-2-9-23(20)28-22-10-4-8-21(19(22)15-27-28)26-14-17-6-3-5-16-13-25-12-11-18(16)17/h1-3,5-7,9,11-13,15,21,26H,4,8,10,14H2/t21-/m1/s1
InChIKeyGCVZUSNBKMBZMD-OAQYLSRUSA-N
MW372.45 g/mol
LogP4.73
Rot. Bonds4

About (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 42525614) has the molecular formula C23H21FN4 and a molecular weight of 372.45 g/mol. Its IUPAC name is (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID42525614
Molecular FormulaC23H21FN4
Molecular Weight372.45 g/mol
Exact Mass372.18
IUPAC Name(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESFc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cccc2cnccc12
InChIInChI=1S/C23H21FN4/c24-20-7-1-2-9-23(20)28-22-10-4-8-21(19(22)15-27-28)26-14-17-6-3-5-16-13-25-12-11-18(16)17/h1-3,5-7,9,11-13,15,21,26H,4,8,10,14H2/t21-/m1/s1
InChIKeyGCVZUSNBKMBZMD-OAQYLSRUSA-N
XLogP4.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42516599
2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol
CID 45170420
(4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 25369521
(4R)-N-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26408861
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
(R)-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropane-2-sulfinamide
CID 129104774
(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 96730162
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine
CID 82593098
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 42525614) is (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cccc2cnccc12.
What is the InChIKey of (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is GCVZUSNBKMBZMD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21FN4/c24-20-7-1-2-9-23(20)28-22-10-4-8-21(19(22)15-27-28)26-14-17-6-3-5-16-13-25-12-11-18(16)17/h1-3,5-7,9,11-13,15,21,26H,4,8,10,14H2/t21-/m1/s1.
What are the key properties of (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 372.45 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 42525614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).