2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine

C32H41N7O2 — CID 89122466

IUPAC2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine
SMILESC[C@@H]1CN(C(=O)[C@H](N)Cc2ccc3ccccc3c2)[C@@H](CCCN=C(N)N)CN1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C32H41N7O2/c1-21-19-39(31(41)28(33)16-22-12-13-23-7-2-3-8-24(23)15-22)26(9-6-14-36-32(34)35)20-38(21)30(40)17-25-18-37-29-11-5-4-10-27(25)29/h2-5,7-8,10-13,15,21,25-26,28,37H,6,9,14,16-20,33H2,1H3,(H4,34,35,36)/t21-,25?,26+,28-/m1/s1
InChIKeyYSPRAXIGTLMJIP-NRAWWQKCSA-N
MW555.73 g/mol
LogP2.79
Rot. Bonds9

About 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine

2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine (PubChem CID 89122466) has the molecular formula C32H41N7O2 and a molecular weight of 555.73 g/mol. Its IUPAC name is 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine
PubChem CID89122466
Molecular FormulaC32H41N7O2
Molecular Weight555.73 g/mol
Exact Mass555.33
IUPAC Name2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine
SMILESC[C@@H]1CN(C(=O)[C@H](N)Cc2ccc3ccccc3c2)[C@@H](CCCN=C(N)N)CN1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C32H41N7O2/c1-21-19-39(31(41)28(33)16-22-12-13-23-7-2-3-8-24(23)15-22)26(9-6-14-36-32(34)35)20-38(21)30(40)17-25-18-37-29-11-5-4-10-27(25)29/h2-5,7-8,10-13,15,21,25-26,28,37H,6,9,14,16-20,33H2,1H3,(H4,34,35,36)/t21-,25?,26+,28-/m1/s1
InChIKeyYSPRAXIGTLMJIP-NRAWWQKCSA-N
XLogP2.79
TPSA143.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.73
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine 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 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine?
The IUPAC name of 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine (CID 89122466) is 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine is C[C@@H]1CN(C(=O)[C@H](N)Cc2ccc3ccccc3c2)[C@@H](CCCN=C(N)N)CN1C(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine?
The InChIKey is YSPRAXIGTLMJIP-NRAWWQKCSA-N. The full InChI is InChI=1S/C32H41N7O2/c1-21-19-39(31(41)28(33)16-22-12-13-23-7-2-3-8-24(23)15-22)26(9-6-14-36-32(34)35)20-38(21)30(40)17-25-18-37-29-11-5-4-10-27(25)29/h2-5,7-8,10-13,15,21,25-26,28,37H,6,9,14,16-20,33H2,1H3,(H4,34,35,36)/t21-,25?,26+,28-/m1/s1.
What are the key properties of 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine?
2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine has a molecular weight of 555.73 g/mol, XLogP of 2.79, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]-4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-5-methylpiperazin-2-yl]propyl]guanidine is sourced from PubChem (CID 89122466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).