3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

C29H28N4O2 — CID 25492281

IUPAC3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C29H28N4O2/c1-35-24-13-9-22(10-14-24)29-26(25-5-2-3-6-27(25)32-29)15-16-28(34)30-19-17-21-7-11-23(12-8-21)33-20-4-18-31-33/h2-14,18,20,32H,15-17,19H2,1H3,(H,30,34)
InChIKeyIMRGHZUUJZCZEO-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.32
Rot. Bonds9

About 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 25492281) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID25492281
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C29H28N4O2/c1-35-24-13-9-22(10-14-24)29-26(25-5-2-3-6-27(25)32-29)15-16-28(34)30-19-17-21-7-11-23(12-8-21)33-20-4-18-31-33/h2-14,18,20,32H,15-17,19H2,1H3,(H,30,34)
InChIKeyIMRGHZUUJZCZEO-UHFFFAOYSA-N
XLogP5.32
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55652406
3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
CID 16613871
ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
CID 56558488
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 56562383
N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
benzyl 2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]acetate
CID 27711373

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide (CID 25492281) is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is IMRGHZUUJZCZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-35-24-13-9-22(10-14-24)29-26(25-5-2-3-6-27(25)32-29)15-16-28(34)30-19-17-21-7-11-23(12-8-21)33-20-4-18-31-33/h2-14,18,20,32H,15-17,19H2,1H3,(H,30,34).
What are the key properties of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 464.57 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 25492281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).