2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine

C25H35F3N6O — CID 139567498

IUPAC2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCC(N)CN1C(C)Cc2c(ccc(NN)c2N)C1c1c(F)cc(OCCN2CC(CF)C2)cc1F
InChIInChI=1S/C25H35F3N6O/c1-14(29)11-34-15(2)7-19-18(3-4-22(32-31)24(19)30)25(34)23-20(27)8-17(9-21(23)28)35-6-5-33-12-16(10-26)13-33/h3-4,8-9,14-16,25,32H,5-7,10-13,29-31H2,1-2H3
InChIKeyCPQGZNXGWKSCHL-UHFFFAOYSA-N
MW492.59 g/mol
LogP2.80
Rot. Bonds9

About 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine

2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 139567498) has the molecular formula C25H35F3N6O and a molecular weight of 492.59 g/mol. Its IUPAC name is 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID139567498
Molecular FormulaC25H35F3N6O
Molecular Weight492.59 g/mol
Exact Mass492.28
IUPAC Name2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCC(N)CN1C(C)Cc2c(ccc(NN)c2N)C1c1c(F)cc(OCCN2CC(CF)C2)cc1F
InChIInChI=1S/C25H35F3N6O/c1-14(29)11-34-15(2)7-19-18(3-4-22(32-31)24(19)30)25(34)23-20(27)8-17(9-21(23)28)35-6-5-33-12-16(10-26)13-33/h3-4,8-9,14-16,25,32H,5-7,10-13,29-31H2,1-2H3
InChIKeyCPQGZNXGWKSCHL-UHFFFAOYSA-N
XLogP2.80
TPSA105.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine (CID 139567498) is 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine is CC(N)CN1C(C)Cc2c(ccc(NN)c2N)C1c1c(F)cc(OCCN2CC(CF)C2)cc1F.
What is the InChIKey of 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is CPQGZNXGWKSCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3N6O/c1-14(29)11-34-15(2)7-19-18(3-4-22(32-31)24(19)30)25(34)23-20(27)8-17(9-21(23)28)35-6-5-33-12-16(10-26)13-33/h3-4,8-9,14-16,25,32H,5-7,10-13,29-31H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 492.59 g/mol, XLogP of 2.80, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydrazinyl-3-methyl-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 139567498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).