1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one

C23H23FN4O2 — CID 136627819

IUPAC1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1cc(C)c(-c2cc3[nH]c(=O)c4cnn(C5CCCC5)c4c3cc2F)c(C)n1
InChIInChI=1S/C23H23FN4O2/c1-12-8-20(30-3)26-13(2)21(12)15-10-19-16(9-18(15)24)22-17(23(29)27-19)11-25-28(22)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,27,29)
InChIKeyFRAPZGIOPAKVLD-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.82
Rot. Bonds3

About 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one

1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136627819) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136627819
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1cc(C)c(-c2cc3[nH]c(=O)c4cnn(C5CCCC5)c4c3cc2F)c(C)n1
InChIInChI=1S/C23H23FN4O2/c1-12-8-20(30-3)26-13(2)21(12)15-10-19-16(9-18(15)24)22-17(23(29)27-19)11-25-28(22)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,27,29)
InChIKeyFRAPZGIOPAKVLD-UHFFFAOYSA-N
XLogP4.82
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one with MolForge

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Related Compounds

8-bromo-1-cyclopentyl-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505471
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 137257288
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136932996
8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619019
8-[4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505772
1-cyclopentyl-7-methyl-8-[4-(3,3,3-trifluoropropyl)piperazine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 162545012
1-cyclopentyl-7-methyl-8-(4-phenylpiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505814
1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505747
1-cycloheptyl-8-(4-hexylpiperazine-1-carbonyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 137152331
1-cyclopentyl-8-[(3R)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505941
8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505497
1-cyclopentyl-8-[(3S)-4-(3-methoxypropyl)-3-methylpiperazine-1-carbonyl]-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one;methane
CID 161418209

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136627819) is 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one is COc1cc(C)c(-c2cc3[nH]c(=O)c4cnn(C5CCCC5)c4c3cc2F)c(C)n1.
What is the InChIKey of 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is FRAPZGIOPAKVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-12-8-20(30-3)26-13(2)21(12)15-10-19-16(9-18(15)24)22-17(23(29)27-19)11-25-28(22)14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,27,29).
What are the key properties of 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 406.46 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136627819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).