2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C22H19N5O3 — CID 156775622

IUPAC2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOc1cc(-c2nccc3nc(-c4ccc5[nH]ccc5c4)nn23)cc(OC)c1OC
InChIInChI=1S/C22H19N5O3/c1-28-17-11-15(12-18(29-2)20(17)30-3)22-24-9-7-19-25-21(26-27(19)22)14-4-5-16-13(10-14)6-8-23-16/h4-12,23H,1-3H3
InChIKeyDYPHFFUSCWNABK-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.97
Rot. Bonds5

About 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine

2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 156775622) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID156775622
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCOc1cc(-c2nccc3nc(-c4ccc5[nH]ccc5c4)nn23)cc(OC)c1OC
InChIInChI=1S/C22H19N5O3/c1-28-17-11-15(12-18(29-2)20(17)30-3)22-24-9-7-19-25-21(26-27(19)22)14-4-5-16-13(10-14)6-8-23-16/h4-12,23H,1-3H3
InChIKeyDYPHFFUSCWNABK-UHFFFAOYSA-N
XLogP3.97
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

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Related Compounds

N-(1H-indol-4-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 169450726
4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine
CID 69054288
5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 66726497
7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 39312494
3-(1H-indol-5-yl)-4,5-dimethoxybenzonitrile
CID 39231418
6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole
CID 57336206
5-methyl-8-(3,4,5-trimethoxyphenyl)-1H-[1,2,4]triazolo[5,1-f]purine
CID 135819639
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
5-(6-methoxypyrimidin-4-yl)-1H-indole
CID 56711571
3-(1H-indol-5-yl)-5-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 70114360
1H-indol-5-yl 2-(3,4,5-trimethoxyphenyl)acetate
CID 89364974
N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxyaniline;hydrochloride
CID 17221805

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 156775622) is 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine is COc1cc(-c2nccc3nc(-c4ccc5[nH]ccc5c4)nn23)cc(OC)c1OC.
What is the InChIKey of 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is DYPHFFUSCWNABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-28-17-11-15(12-18(29-2)20(17)30-3)22-24-9-7-19-25-21(26-27(19)22)14-4-5-16-13(10-14)6-8-23-16/h4-12,23H,1-3H3.
What are the key properties of 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 401.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 156775622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).