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

C24H22N4O3 — CID 162653003

IUPAC2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4cn(C)c5ccccc45)nn23)cc(OC)c1OC
InChIInChI=1S/C24H22N4O3/c1-27-14-17(16-7-5-6-8-20(16)27)18-13-23-25-10-9-19(28(23)26-18)15-11-21(29-2)24(31-4)22(12-15)30-3/h5-14H,1-4H3
InChIKeyVDSUFHYBIPYECF-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.58
Rot. Bonds5

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

2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162653003) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162653003
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4cn(C)c5ccccc45)nn23)cc(OC)c1OC
InChIInChI=1S/C24H22N4O3/c1-27-14-17(16-7-5-6-8-20(16)27)18-13-23-25-10-9-19(28(23)26-18)15-11-21(29-2)24(31-4)22(12-15)30-3/h5-14H,1-4H3
InChIKeyVDSUFHYBIPYECF-UHFFFAOYSA-N
XLogP4.58
TPSA62.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162653003) is 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2ccnc3cc(-c4cn(C)c5ccccc45)nn23)cc(OC)c1OC.
What is the InChIKey of 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is VDSUFHYBIPYECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-27-14-17(16-7-5-6-8-20(16)27)18-13-23-25-10-9-19(28(23)26-18)15-11-21(29-2)24(31-4)22(12-15)30-3/h5-14H,1-4H3.
What are the key properties of 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 414.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162653003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).