N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine

C21H19FN4 — CID 11791862

IUPACN-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESFc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1
InChIInChI=1S/C21H19FN4/c22-14-6-5-9-16(12-14)26-13-18-17-10-3-4-11-19(17)24-21(20(18)25-26)23-15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2,(H,23,24)
InChIKeyUPWBBBQTTVWBOF-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.07
Rot. Bonds3

About N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine

N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 11791862) has the molecular formula C21H19FN4 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID11791862
Molecular FormulaC21H19FN4
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC NameN-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESFc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1
InChIInChI=1S/C21H19FN4/c22-14-6-5-9-16(12-14)26-13-18-17-10-3-4-11-19(17)24-21(20(18)25-26)23-15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2,(H,23,24)
InChIKeyUPWBBBQTTVWBOF-UHFFFAOYSA-N
XLogP5.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine (CID 11791862) is N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine is Fc1cccc(-n2cc3c(n2)c(NC2CCCC2)nc2ccccc23)c1.
What is the InChIKey of N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is UPWBBBQTTVWBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4/c22-14-6-5-9-16(12-14)26-13-18-17-10-3-4-11-19(17)24-21(20(18)25-26)23-15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2,(H,23,24).
What are the key properties of N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine?
N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 346.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 11791862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).