(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one

C23H20N4O3S — CID 155394911

IUPAC(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
SMILESCSc1cccc2c1C(=O)N(c1ccc3c(n1)O[C@H](C)C(=O)N3C)C2c1cccnc1
InChIInChI=1S/C23H20N4O3S/c1-13-22(28)26(2)16-9-10-18(25-21(16)30-13)27-20(14-6-5-11-24-12-14)15-7-4-8-17(31-3)19(15)23(27)29/h4-13,20H,1-3H3/t13-,20?/m1/s1
InChIKeyBJIBLXSUGUHXMX-CRIUFTBBSA-N
MW432.51 g/mol
LogP3.69
Rot. Bonds3

About (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one

(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 155394911) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID155394911
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
SMILESCSc1cccc2c1C(=O)N(c1ccc3c(n1)O[C@H](C)C(=O)N3C)C2c1cccnc1
InChIInChI=1S/C23H20N4O3S/c1-13-22(28)26(2)16-9-10-18(25-21(16)30-13)27-20(14-6-5-11-24-12-14)15-7-4-8-17(31-3)19(15)23(27)29/h4-13,20H,1-3H3/t13-,20?/m1/s1
InChIKeyBJIBLXSUGUHXMX-CRIUFTBBSA-N
XLogP3.69
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1,3-dimethyl-6-(4-methylsulfinyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 139404648
1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 155385073
(3R)-1,3,4-trimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404589
4-cyclopropyl-1,3-dimethyl-6-(4-methylsulfonyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 155657858
4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 155657861
4-cyclopropyl-1-(fluoromethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404681
2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one
CID 155394811
(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one
CID 155385071
N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide
CID 155385128
7-methyl-2-pyridin-2-yl-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78372607
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630190
(4R,5R)-3-tert-butyl-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 59135096

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one (CID 155394911) is (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one is CSc1cccc2c1C(=O)N(c1ccc3c(n1)O[C@H](C)C(=O)N3C)C2c1cccnc1.
What is the InChIKey of (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is BJIBLXSUGUHXMX-CRIUFTBBSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-13-22(28)26(2)16-9-10-18(25-21(16)30-13)27-20(14-6-5-11-24-12-14)15-7-4-8-17(31-3)19(15)23(27)29/h4-13,20H,1-3H3/t13-,20?/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one?
(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 432.51 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 155394911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).