7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C23H20N4O3 — CID 162667633

IUPAC7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cc3nccc(-c4c[nH]c5ccccc45)n3n2)cc(OC)c1OC
InChIInChI=1S/C23H20N4O3/c1-28-20-10-14(11-21(29-2)23(20)30-3)18-12-22-24-9-8-19(27(22)26-18)16-13-25-17-7-5-4-6-15(16)17/h4-13,25H,1-3H3
InChIKeyXHBIXWLINXGPFR-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.57
Rot. Bonds5

About 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162667633) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162667633
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cc3nccc(-c4c[nH]c5ccccc45)n3n2)cc(OC)c1OC
InChIInChI=1S/C23H20N4O3/c1-28-20-10-14(11-21(29-2)23(20)30-3)18-12-22-24-9-8-19(27(22)26-18)16-13-25-17-7-5-4-6-15(16)17/h4-13,25H,1-3H3
InChIKeyXHBIXWLINXGPFR-UHFFFAOYSA-N
XLogP4.57
TPSA73.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol
CID 163565010
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
7-piperidin-3-yl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 16670089
7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 39312494
6-(3,4,5-trimethoxyphenyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 13424602
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
4-[4-(1H-indol-3-yl)-1,3-oxazol-2-yl]-2-methoxyphenol
CID 135883364
4-phenyl-6-(3,4,5-trimethoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 134695234
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diol
CID 135634342
2-[2-(1H-indol-3-yl)ethyl]-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121240671
N-(1H-indol-4-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 169450726
(2-deuterio-3,4,5-trimethoxyphenyl)-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]methanone
CID 176847172

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162667633) is 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2cc3nccc(-c4c[nH]c5ccccc45)n3n2)cc(OC)c1OC.
What is the InChIKey of 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XHBIXWLINXGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-28-20-10-14(11-21(29-2)23(20)30-3)18-12-22-24-9-8-19(27(22)26-18)16-13-25-17-7-5-4-6-15(16)17/h4-13,25H,1-3H3.
What are the key properties of 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 400.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162667633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).