N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide

C24H33N5O3 — CID 69317900

IUPACN-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1cn[nH]c1)C(=O)NCCN1CCc2ccccc21
InChIInChI=1S/C24H33N5O3/c1-2-20(30)9-4-3-5-10-21(28-23(31)19-16-26-27-17-19)24(32)25-13-15-29-14-12-18-8-6-7-11-22(18)29/h6-8,11,16-17,21H,2-5,9-10,12-15H2,1H3,(H,25,32)(H,26,27)(H,28,31)/t21-/m0/s1
InChIKeyRSTKSQYYZMACLI-NRFANRHFSA-N
MW439.56 g/mol
LogP2.62
Rot. Bonds13

About N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide

N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 69317900) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID69317900
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1cn[nH]c1)C(=O)NCCN1CCc2ccccc21
InChIInChI=1S/C24H33N5O3/c1-2-20(30)9-4-3-5-10-21(28-23(31)19-16-26-27-17-19)24(32)25-13-15-29-14-12-18-8-6-7-11-22(18)29/h6-8,11,16-17,21H,2-5,9-10,12-15H2,1H3,(H,25,32)(H,26,27)(H,28,31)/t21-/m0/s1
InChIKeyRSTKSQYYZMACLI-NRFANRHFSA-N
XLogP2.62
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide 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 N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide (CID 69317900) is N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)c1cn[nH]c1)C(=O)NCCN1CCc2ccccc21.
What is the InChIKey of N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is RSTKSQYYZMACLI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-2-20(30)9-4-3-5-10-21(28-23(31)19-16-26-27-17-19)24(32)25-13-15-29-14-12-18-8-6-7-11-22(18)29/h6-8,11,16-17,21H,2-5,9-10,12-15H2,1H3,(H,25,32)(H,26,27)(H,28,31)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide?
N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.62, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 69317900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).