methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

C25H22N4O3 — CID 66496153

IUPACmethyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCc2c[nH]c3ccccc23)cc2c(=O)n(-c3ccccc3C)nc1-2
InChIInChI=1S/C25H22N4O3/c1-16-7-3-6-10-22(16)29-24(30)19-14-28(15-20(23(19)27-29)25(31)32-2)12-11-17-13-26-21-9-5-4-8-18(17)21/h3-10,13-15,26H,11-12H2,1-2H3
InChIKeyUHYRSXZPLJOBDR-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.96
Rot. Bonds5

About methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66496153) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID66496153
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Namemethyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCc2c[nH]c3ccccc23)cc2c(=O)n(-c3ccccc3C)nc1-2
InChIInChI=1S/C25H22N4O3/c1-16-7-3-6-10-22(16)29-24(30)19-14-28(15-20(23(19)27-29)25(31)32-2)12-11-17-13-26-21-9-5-4-8-18(17)21/h3-10,13-15,26H,11-12H2,1-2H3
InChIKeyUHYRSXZPLJOBDR-UHFFFAOYSA-N
XLogP3.96
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 5-[2-(4-methoxyphenyl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496128
methyl 2-(2-methylphenyl)-5-(3-morpholin-4-ylpropyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496198
methyl 5-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496222
methyl 2-(2-methylphenyl)-3-oxo-5-(pyridin-2-ylmethyl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496229
methyl 5-(1H-benzimidazol-2-yl)-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496115
methyl 2-(2-methylphenyl)-5-(3-nitrophenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66496070
methyl 4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]benzoate
CID 176910375
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202567
methyl 5-[2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240827
methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125124134

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66496153) is methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CCc2c[nH]c3ccccc23)cc2c(=O)n(-c3ccccc3C)nc1-2.
What is the InChIKey of methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is UHYRSXZPLJOBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-16-7-3-6-10-22(16)29-24(30)19-14-28(15-20(23(19)27-29)25(31)32-2)12-11-17-13-26-21-9-5-4-8-18(17)21/h3-10,13-15,26H,11-12H2,1-2H3.
What are the key properties of methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 426.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(1H-indol-3-yl)ethyl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66496153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).