methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

C25H19NO3 — CID 6965466

IUPACmethyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C25H19NO3/c1-14-20(25(28)29-2)21(17-12-11-15-7-3-4-8-16(15)13-17)22-23(26-14)18-9-5-6-10-19(18)24(22)27/h3-13,20-21H,1-2H3/t20?,21-/m1/s1
InChIKeyNBEVDXUNORAWFD-BPGUCPLFSA-N
MW381.43 g/mol
LogP4.79
Rot. Bonds2

About methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 6965466) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
PubChem CID6965466
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Namemethyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCOC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C25H19NO3/c1-14-20(25(28)29-2)21(17-12-11-15-7-3-4-8-16(15)13-17)22-23(26-14)18-9-5-6-10-19(18)24(22)27/h3-13,20-21H,1-2H3/t20?,21-/m1/s1
InChIKeyNBEVDXUNORAWFD-BPGUCPLFSA-N
XLogP4.79
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl (4R)-4-(3-chloro-4-methoxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7210911
2-[2-chloro-4-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetate
CID 78462312
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
ethyl (4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7909677
2-[4-bromo-2-(3-methoxycarbonyl-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridin-4-yl)phenoxy]acetic acid
CID 74712237
methyl (5S,6R)-6-naphthalen-2-yl-4-oxo-5,6-dihydrocyclopenta[b]thiophene-5-carboxylate
CID 135013439
(4S)-4-(4-methoxyphenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7222400
(4S)-3-acetyl-2-methyl-4-(3-nitrophenyl)-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7241233
methyl (4S,7R)-4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968776
methyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968617
methyl (4S,7S)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968619
methyl 2-methyl-5-oxo-4-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-3-carboxylate
CID 54161386

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (CID 6965466) is methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is COC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is NBEVDXUNORAWFD-BPGUCPLFSA-N. The full InChI is InChI=1S/C25H19NO3/c1-14-20(25(28)29-2)21(17-12-11-15-7-3-4-8-16(15)13-17)22-23(26-14)18-9-5-6-10-19(18)24(22)27/h3-13,20-21H,1-2H3/t20?,21-/m1/s1.
What are the key properties of methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-methyl-4-naphthalen-2-yl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 6965466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).