methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C18H16N4O4 — CID 121240464

IUPACmethyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CC(=O)N2CCc3ccccc32)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H16N4O4/c1-26-18(25)13-9-21(8-12-16(13)19-20-17(12)24)10-15(23)22-7-6-11-4-2-3-5-14(11)22/h2-5,8-9H,6-7,10H2,1H3,(H,20,24)
InChIKeyQFVXLNBMYQMBKB-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.05
Rot. Bonds3

About methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121240464) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121240464
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Namemethyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CC(=O)N2CCc3ccccc32)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H16N4O4/c1-26-18(25)13-9-21(8-12-16(13)19-20-17(12)24)10-15(23)22-7-6-11-4-2-3-5-14(11)22/h2-5,8-9H,6-7,10H2,1H3,(H,20,24)
InChIKeyQFVXLNBMYQMBKB-UHFFFAOYSA-N
XLogP1.05
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240035
methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239609
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878924
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240186
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-N,4-N-di(propan-2-yl)pyrrole-3,4-disulfonamide
CID 20927512
methyl 5-[(3R)-3-(furan-2-yl)-4-phenylbutyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124880049
methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240626

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121240464) is methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CC(=O)N2CCc3ccccc32)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is QFVXLNBMYQMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-26-18(25)13-9-21(8-12-16(13)19-20-17(12)24)10-15(23)22-7-6-11-4-2-3-5-14(11)22/h2-5,8-9H,6-7,10H2,1H3,(H,20,24).
What are the key properties of methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121240464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).