1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol

C26H33N5O3 — CID 135676213

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol
SMILESCCO.Cc1cc(C)nc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)C3c2ccc(C)o2)n1
InChIInChI=1S/C24H27N5O2.C2H6O/c1-12-9-13(2)26-23(25-12)29-22-19(15(4)28-29)21(18-8-7-14(3)31-18)20-16(27-22)10-24(5,6)11-17(20)30;1-2-3/h7-9,21,27H,10-11H2,1-6H3;3H,2H2,1H3
InChIKeyIUIIHOPKSOUATO-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.69
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol

1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol (PubChem CID 135676213) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol
PubChem CID135676213
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol
SMILESCCO.Cc1cc(C)nc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)C3c2ccc(C)o2)n1
InChIInChI=1S/C24H27N5O2.C2H6O/c1-12-9-13(2)26-23(25-12)29-22-19(15(4)28-29)21(18-8-7-14(3)31-18)20-16(27-22)10-24(5,6)11-17(20)30;1-2-3/h7-9,21,27H,10-11H2,1-6H3;3H,2H2,1H3
InChIKeyIUIIHOPKSOUATO-UHFFFAOYSA-N
XLogP4.69
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol with MolForge

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Related Compounds

3,7,7-trimethyl-4-(5-methylfuran-2-yl)-1-(4-methylphenyl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 4070438
(4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 124896085
(4R)-4-(4-ethoxyphenyl)-3,7,7-trimethyl-1-phenyl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 135590865
(4S)-4-ethyl-3,7,7-trimethyl-1-phenyl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 135726741
2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135832417
(4R)-3-methyl-4-(5-methylfuran-2-yl)-1-pyridin-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135910593
2-[4-(3,7,7-trimethyl-5-oxo-1-phenyl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-4-yl)phenoxy]acetic acid
CID 135646074
(4R)-1-(4-fluorophenyl)-3,7,7-trimethyl-4-thiophen-3-yl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 135784449
4-(3,7,7-trimethyl-5-oxo-1-phenyl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-4-yl)benzoic acid
CID 135646076
8,8-dimethyl-5-(5-methylfuran-2-yl)-2-pentylsulfanyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135712370
(4R)-4-(4-bromophenyl)-3,7,7-trimethyl-1-phenyl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 136856783
(4R)-4-(2,4-dimethoxyphenyl)-3,7,7-trimethyl-1-phenyl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 136798221

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol (CID 135676213) is 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol is CCO.Cc1cc(C)nc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)C3c2ccc(C)o2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol?
The InChIKey is IUIIHOPKSOUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.C2H6O/c1-12-9-13(2)26-23(25-12)29-22-19(15(4)28-29)21(18-8-7-14(3)31-18)20-16(27-22)10-24(5,6)11-17(20)30;1-2-3/h7-9,21,27H,10-11H2,1-6H3;3H,2H2,1H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol?
1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol has a molecular weight of 463.58 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol is sourced from PubChem (CID 135676213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).