3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide

C24H22N6O3 — CID 167837717

IUPAC3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ncnc3nc[nH]c23)c(OC)c1
InChIInChI=1S/C24H22N6O3/c1-32-14-7-8-17(19(11-14)33-2)21-16(15-5-3-4-6-18(15)29-21)9-10-20(31)30-24-22-23(26-12-25-22)27-13-28-24/h3-8,11-13,29H,9-10H2,1-2H3,(H2,25,26,27,28,30,31)
InChIKeyNNFPGIJJVYDLBN-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.09
Rot. Bonds7

About 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide

3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide (PubChem CID 167837717) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide
PubChem CID167837717
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ncnc3nc[nH]c23)c(OC)c1
InChIInChI=1S/C24H22N6O3/c1-32-14-7-8-17(19(11-14)33-2)21-16(15-5-3-4-6-18(15)29-21)9-10-20(31)30-24-22-23(26-12-25-22)27-13-28-24/h3-8,11-13,29H,9-10H2,1-2H3,(H2,25,26,27,28,30,31)
InChIKeyNNFPGIJJVYDLBN-UHFFFAOYSA-N
XLogP4.09
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]propanoylamino]propanoic acid
CID 119225352
(2S)-2-[3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]propanoylamino]propanoic acid
CID 119238171
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 166194187
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549
3-(2-phenylethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008624
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289
2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3257517
3-(ethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008467

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide (CID 167837717) is 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ncnc3nc[nH]c23)c(OC)c1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide?
The InChIKey is NNFPGIJJVYDLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-32-14-7-8-17(19(11-14)33-2)21-16(15-5-3-4-6-18(15)29-21)9-10-20(31)30-24-22-23(26-12-25-22)27-13-28-24/h3-8,11-13,29H,9-10H2,1-2H3,(H2,25,26,27,28,30,31).
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide?
3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide has a molecular weight of 442.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]-N-(7H-purin-6-yl)propanamide is sourced from PubChem (CID 167837717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).