(4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

C23H20N2O4 — CID 6984197

IUPAC(4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCOc1cc([C@H]2C3=C(N=C(C)C2C#N)c2ccccc2C3=O)cc(OC)c1OC
InChIInChI=1S/C23H20N2O4/c1-12-16(11-24)19(13-9-17(27-2)23(29-4)18(10-13)28-3)20-21(25-12)14-7-5-6-8-15(14)22(20)26/h5-10,16,19H,1-4H3/t16?,19-/m1/s1
InChIKeyVVZAJUJVVXRCFX-LRTDYKAYSA-N
MW388.42 g/mol
LogP4.02
Rot. Bonds4

About (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

(4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 6984197) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID6984197
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCOc1cc([C@H]2C3=C(N=C(C)C2C#N)c2ccccc2C3=O)cc(OC)c1OC
InChIInChI=1S/C23H20N2O4/c1-12-16(11-24)19(13-9-17(27-2)23(29-4)18(10-13)28-3)20-21(25-12)14-7-5-6-8-15(14)22(20)26/h5-10,16,19H,1-4H3/t16?,19-/m1/s1
InChIKeyVVZAJUJVVXRCFX-LRTDYKAYSA-N
XLogP4.02
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile with MolForge

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Related Compounds

ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7909677
methyl (4R)-4-(3-chloro-4-methoxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7210911
(9aR,10S)-10-(3,4-dimethoxyphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 7112685
(10S)-10-(3,4-dimethoxyphenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 6967373
methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6965466
(4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7222400
2-cyanoethyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 102097757
4-[3-bromo-4-[(3-cyanophenyl)methoxy]-5-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 90909661
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7700112
11-(3,4,5-trimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2950766
2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate
CID 78462312

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (CID 6984197) is (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is COc1cc([C@H]2C3=C(N=C(C)C2C#N)c2ccccc2C3=O)cc(OC)c1OC.
What is the InChIKey of (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is VVZAJUJVVXRCFX-LRTDYKAYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-12-16(11-24)19(13-9-17(27-2)23(29-4)18(10-13)28-3)20-21(25-12)14-7-5-6-8-15(14)22(20)26/h5-10,16,19H,1-4H3/t16?,19-/m1/s1.
What are the key properties of (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
(4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 388.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 6984197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).