7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one

C23H25F3N4O3 — CID 136618985

IUPAC7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C23H25F3N4O3/c1-13-10-19-17(11-16(13)22(32)29-6-2-14(3-7-29)23(24,25)26)20-18(21(31)28-19)12-27-30(20)15-4-8-33-9-5-15/h10-12,14-15H,2-9H2,1H3,(H,28,31)
InChIKeyFGWAZIZRAAYGFO-UHFFFAOYSA-N
MW462.47 g/mol
LogP3.95
Rot. Bonds2

About 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one

7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136618985) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136618985
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC Name7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C23H25F3N4O3/c1-13-10-19-17(11-16(13)22(32)29-6-2-14(3-7-29)23(24,25)26)20-18(21(31)28-19)12-27-30(20)15-4-8-33-9-5-15/h10-12,14-15H,2-9H2,1H3,(H,28,31)
InChIKeyFGWAZIZRAAYGFO-UHFFFAOYSA-N
XLogP3.95
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136618985) is 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is FGWAZIZRAAYGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c1-13-10-19-17(11-16(13)22(32)29-6-2-14(3-7-29)23(24,25)26)20-18(21(31)28-19)12-27-30(20)15-4-8-33-9-5-15/h10-12,14-15H,2-9H2,1H3,(H,28,31).
What are the key properties of 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one?
7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 462.47 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(oxan-4-yl)-8-[4-(trifluoromethyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136618985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).