1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine

C24H19FN4 — CID 16733999

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine
SMILESC[C@H](Nc1cc2cnn(-c3ccc(F)cc3)c2c2ccncc12)c1ccccc1
InChIInChI=1S/C24H19FN4/c1-16(17-5-3-2-4-6-17)28-23-13-18-14-27-29(20-9-7-19(25)8-10-20)24(18)21-11-12-26-15-22(21)23/h2-16,28H,1H3/t16-/m0/s1
InChIKeySEPXJLSNSCDHNI-INIZCTEOSA-N
MW382.44 g/mol
LogP5.89
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine

1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine (PubChem CID 16733999) has the molecular formula C24H19FN4 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine
PubChem CID16733999
Molecular FormulaC24H19FN4
Molecular Weight382.44 g/mol
Exact Mass382.16
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine
SMILESC[C@H](Nc1cc2cnn(-c3ccc(F)cc3)c2c2ccncc12)c1ccccc1
InChIInChI=1S/C24H19FN4/c1-16(17-5-3-2-4-6-17)28-23-13-18-14-27-29(20-9-7-19(25)8-10-20)24(18)21-11-12-26-15-22(21)23/h2-16,28H,1H3/t16-/m0/s1
InChIKeySEPXJLSNSCDHNI-INIZCTEOSA-N
XLogP5.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine (CID 16733999) is 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine is C[C@H](Nc1cc2cnn(-c3ccc(F)cc3)c2c2ccncc12)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine?
The InChIKey is SEPXJLSNSCDHNI-INIZCTEOSA-N. The full InChI is InChI=1S/C24H19FN4/c1-16(17-5-3-2-4-6-17)28-23-13-18-14-27-29(20-9-7-19(25)8-10-20)24(18)21-11-12-26-15-22(21)23/h2-16,28H,1H3/t16-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine?
1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine has a molecular weight of 382.44 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-f]isoquinolin-5-amine is sourced from PubChem (CID 16733999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).