1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one

C24H28F3N5O2 — CID 86767201

IUPAC1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCC1=CC2=NC(=O)c3cnn(C4CCC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C24H28F3N5O2/c1-2-15-12-20-18(21-19(22(33)29-20)14-28-32(21)16-4-3-5-16)13-17(15)23(34)31-10-8-30(9-11-31)7-6-24(25,26)27/h12-14,16-17H,2-11H2,1H3
InChIKeyFHRIXRJRYIFPKG-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.65
Rot. Bonds5

About 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one

1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 86767201) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID86767201
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCC1=CC2=NC(=O)c3cnn(C4CCC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C24H28F3N5O2/c1-2-15-12-20-18(21-19(22(33)29-20)14-28-32(21)16-4-3-5-16)13-17(15)23(34)31-10-8-30(9-11-31)7-6-24(25,26)27/h12-14,16-17H,2-11H2,1H3
InChIKeyFHRIXRJRYIFPKG-UHFFFAOYSA-N
XLogP3.65
TPSA70.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one (CID 86767201) is 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one is CCC1=CC2=NC(=O)c3cnn(C4CCC4)c3C2=CC1C(=O)N1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is FHRIXRJRYIFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-2-15-12-20-18(21-19(22(33)29-20)14-28-32(21)16-4-3-5-16)13-17(15)23(34)31-10-8-30(9-11-31)7-6-24(25,26)27/h12-14,16-17H,2-11H2,1H3.
What are the key properties of 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one?
1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 475.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-7-ethyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-8H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 86767201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).