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

C24H28F3N5O2 — CID 162545012

IUPAC1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCCC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C24H28F3N5O2/c1-15-12-20-18(21-19(22(33)29-20)14-28-32(21)16-4-2-3-5-16)13-17(15)23(34)31-10-8-30(9-11-31)7-6-24(25,26)27/h12-14,16H,2-11H2,1H3,(H,29,33)
InChIKeyCHLZLLMNJUEPSG-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.01
Rot. Bonds4

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

1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 162545012) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID162545012
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCCC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C24H28F3N5O2/c1-15-12-20-18(21-19(22(33)29-20)14-28-32(21)16-4-2-3-5-16)13-17(15)23(34)31-10-8-30(9-11-31)7-6-24(25,26)27/h12-14,16H,2-11H2,1H3,(H,29,33)
InChIKeyCHLZLLMNJUEPSG-UHFFFAOYSA-N
XLogP4.01
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 162545012) is 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn(C4CCCC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is CHLZLLMNJUEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-15-12-20-18(21-19(22(33)29-20)14-28-32(21)16-4-2-3-5-16)13-17(15)23(34)31-10-8-30(9-11-31)7-6-24(25,26)27/h12-14,16H,2-11H2,1H3,(H,29,33).
What are the key properties of 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?
1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 475.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 162545012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).