1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide

C25H27N5O2 — CID 91955643

IUPAC1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc2c1cnn2CCCNC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H27N5O2/c1-17-6-4-9-22-20(17)15-28-30(22)13-5-12-26-25(32)23-10-11-24(31)29(23)16-18-14-27-21-8-3-2-7-19(18)21/h2-4,6-9,14-15,23,27H,5,10-13,16H2,1H3,(H,26,32)
InChIKeyIRZQJMDABHZLHD-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.52
Rot. Bonds7

About 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide

1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955643) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID91955643
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc2c1cnn2CCCNC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H27N5O2/c1-17-6-4-9-22-20(17)15-28-30(22)13-5-12-26-25(32)23-10-11-24(31)29(23)16-18-14-27-21-8-3-2-7-19(18)21/h2-4,6-9,14-15,23,27H,5,10-13,16H2,1H3,(H,26,32)
InChIKeyIRZQJMDABHZLHD-UHFFFAOYSA-N
XLogP3.52
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596
N-[3-(4-chloroindazol-1-yl)propyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91956075
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
N-[3-(3-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954637
N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955675
1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955626
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide (CID 91955643) is 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide is Cc1cccc2c1cnn2CCCNC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IRZQJMDABHZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17-6-4-9-22-20(17)15-28-30(22)13-5-12-26-25(32)23-10-11-24(31)29(23)16-18-14-27-21-8-3-2-7-19(18)21/h2-4,6-9,14-15,23,27H,5,10-13,16H2,1H3,(H,26,32).
What are the key properties of 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).