(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

C21H20N4O2 — CID 135910593

IUPAC(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
SMILESCc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccn2)o1
InChIInChI=1S/C21H20N4O2/c1-12-9-10-16(27-12)20-18-13(2)24-25(17-8-3-4-11-22-17)21(18)23-14-6-5-7-15(26)19(14)20/h3-4,8-11,20,23H,5-7H2,1-2H3/t20-/m1/s1
InChIKeyKOXHYVZCANEELI-HXUWFJFHSA-N
MW360.42 g/mol
LogP4.04
Rot. Bonds2

About (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

(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 (PubChem CID 135910593) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135910593
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(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
SMILESCc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccn2)o1
InChIInChI=1S/C21H20N4O2/c1-12-9-10-16(27-12)20-18-13(2)24-25(17-8-3-4-11-22-17)21(18)23-14-6-5-7-15(26)19(14)20/h3-4,8-11,20,23H,5-7H2,1-2H3/t20-/m1/s1
InChIKeyKOXHYVZCANEELI-HXUWFJFHSA-N
XLogP4.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

ethanol;3-methyl-1-pyridin-2-yl-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 2999259
3-methyl-4-[4-(3-methyl-5-oxo-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-4-yl)phenyl]-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135765340
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)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135906159
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
4-(2-chlorophenyl)-3-methyl-1-(3-methylphenyl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 3294446
2-[4-(1H-imidazol-2-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-1-yl]benzoic acid
CID 135646350
4-(2,5-dimethoxyphenyl)-3-methyl-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135573103
1-butyl-5-(5-methylfuran-2-yl)-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 4784606
(4S)-1-(4-fluorophenyl)-3-methyl-4-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135931326
(4S)-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135594490
2-[(4S)-3-methyl-5-oxo-4-thiophen-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-1-yl]benzoic acid
CID 135914050

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccn2)o1.
What is the InChIKey of (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?
The InChIKey is KOXHYVZCANEELI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12-9-10-16(27-12)20-18-13(2)24-25(17-8-3-4-11-22-17)21(18)23-14-6-5-7-15(26)19(14)20/h3-4,8-11,20,23H,5-7H2,1-2H3/t20-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 360.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135910593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).