methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate

C24H26N2O3 — CID 158359979

IUPACmethyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1
InChIInChI=1S/C24H26N2O3/c1-25-15-20(17-4-3-5-18(17)22(25)27)19-14-16(23(28)29-2)6-7-21(19)26-12-10-24(8-9-24)11-13-26/h3-4,6-7,14-15H,5,8-13H2,1-2H3
InChIKeyDDCXFXVNBNJKNO-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.79
Rot. Bonds3

About methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate

methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate (PubChem CID 158359979) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate
PubChem CID158359979
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namemethyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1
InChIInChI=1S/C24H26N2O3/c1-25-15-20(17-4-3-5-18(17)22(25)27)19-14-16(23(28)29-2)6-7-21(19)26-12-10-24(8-9-24)11-13-26/h3-4,6-7,14-15H,5,8-13H2,1-2H3
InChIKeyDDCXFXVNBNJKNO-UHFFFAOYSA-N
XLogP3.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate with MolForge

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Related Compounds

6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-N-propan-2-ylpyridine-3-sulfonamide
CID 159814401
4-[2-(6-azaspiro[2.5]octan-6-yl)-5-propan-2-ylsulfonyl-3-pyridinyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
CID 159016416
5-methoxycarbonyl-2-pyrrolidin-1-ylbenzoic acid
CID 168515414
methyl 4-[4-hydroxy-5-(4-methoxycarbonylphenyl)-1-methyl-6-oxo-3-pyridinyl]benzoate
CID 54751202
methyl 4-ethyl-2-methyl-1-oxoisoquinoline-7-carboxylate
CID 170901635
methyl 4-amino-3-(3,3-dimethylpyrrolidin-1-yl)benzoate
CID 82795731
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
methyl 4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
CID 82784985
methyl 3-(4-acetyloxy-4-methylpiperidin-1-yl)-4-methoxybenzoate
CID 166087355
methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
methyl 1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine-7-carboxylate
CID 15287896
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate?
The IUPAC name of methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate (CID 158359979) is methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate.
What is the SMILES notation for methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate?
The canonical SMILES for methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate is COC(=O)c1ccc(N2CCC3(CC2)CC3)c(-c2cn(C)c(=O)c3c2C=CC3)c1.
What is the InChIKey of methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate?
The InChIKey is DDCXFXVNBNJKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-25-15-20(17-4-3-5-18(17)22(25)27)19-14-16(23(28)29-2)6-7-21(19)26-12-10-24(8-9-24)11-13-26/h3-4,6-7,14-15H,5,8-13H2,1-2H3.
What are the key properties of methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate?
methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate has a molecular weight of 390.48 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-azaspiro[2.5]octan-6-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)benzoate is sourced from PubChem (CID 158359979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).