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

C23H20N4O3 — CID 162651671

IUPAC2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4c[nH]c5ccccc45)nn23)cc(OC)c1OC
InChIInChI=1S/C23H20N4O3/c1-28-20-10-14(11-21(29-2)23(20)30-3)19-8-9-24-22-12-18(26-27(19)22)16-13-25-17-7-5-4-6-15(16)17/h4-13,25H,1-3H3
InChIKeyQBOYKCOMQAOZNC-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.57
Rot. Bonds5

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

2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162651671) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162651671
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4c[nH]c5ccccc45)nn23)cc(OC)c1OC
InChIInChI=1S/C23H20N4O3/c1-28-20-10-14(11-21(29-2)23(20)30-3)19-8-9-24-22-12-18(26-27(19)22)16-13-25-17-7-5-4-6-15(16)17/h4-13,25H,1-3H3
InChIKeyQBOYKCOMQAOZNC-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

Analyze 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine 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 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162651671) is 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2ccnc3cc(-c4c[nH]c5ccccc45)nn23)cc(OC)c1OC.
What is the InChIKey of 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QBOYKCOMQAOZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-28-20-10-14(11-21(29-2)23(20)30-3)19-8-9-24-22-12-18(26-27(19)22)16-13-25-17-7-5-4-6-15(16)17/h4-13,25H,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(1H-indol-3-yl)-7-(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 2-(1H-indol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162651671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).