1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile

C24H30N6O2 — CID 70323000

IUPAC1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile
SMILESCC[C@H]1CN(CC(N)C(=O)N2CCCC2C#N)CC(=O)N1C1CCc2cc(C#N)ccc21
InChIInChI=1S/C24H30N6O2/c1-2-18-13-28(14-21(27)24(32)29-9-3-4-19(29)12-26)15-23(31)30(18)22-8-6-17-10-16(11-25)5-7-20(17)22/h5,7,10,18-19,21-22H,2-4,6,8-9,13-15,27H2,1H3/t18-,19?,21?,22?/m0/s1
InChIKeyFWNDGQOZCSJEEL-RZMUKEPRSA-N
MW434.54 g/mol
LogP1.31
Rot. Bonds5

About 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile

1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile (PubChem CID 70323000) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile
PubChem CID70323000
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile
SMILESCC[C@H]1CN(CC(N)C(=O)N2CCCC2C#N)CC(=O)N1C1CCc2cc(C#N)ccc21
InChIInChI=1S/C24H30N6O2/c1-2-18-13-28(14-21(27)24(32)29-9-3-4-19(29)12-26)15-23(31)30(18)22-8-6-17-10-16(11-25)5-7-20(17)22/h5,7,10,18-19,21-22H,2-4,6,8-9,13-15,27H2,1H3/t18-,19?,21?,22?/m0/s1
InChIKeyFWNDGQOZCSJEEL-RZMUKEPRSA-N
XLogP1.31
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile (CID 70323000) is 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile is CC[C@H]1CN(CC(N)C(=O)N2CCCC2C#N)CC(=O)N1C1CCc2cc(C#N)ccc21.
What is the InChIKey of 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile?
The InChIKey is FWNDGQOZCSJEEL-RZMUKEPRSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-2-18-13-28(14-21(27)24(32)29-9-3-4-19(29)12-26)15-23(31)30(18)22-8-6-17-10-16(11-25)5-7-20(17)22/h5,7,10,18-19,21-22H,2-4,6,8-9,13-15,27H2,1H3/t18-,19?,21?,22?/m0/s1.
What are the key properties of 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile?
1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile has a molecular weight of 434.54 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-[(3S)-4-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethyl-5-oxopiperazin-1-yl]propanoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 70323000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).