4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine

C20H17N5O — CID 891754

IUPAC4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1
InChIInChI=1S/C20H17N5O/c1-26-16-8-6-15(7-9-16)25-20-17(12-23-25)19(21-13-22-20)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3
InChIKeyARJQFJNPZZZOSH-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.52
Rot. Bonds3

About 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine

4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 891754) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID891754
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1
InChIInChI=1S/C20H17N5O/c1-26-16-8-6-15(7-9-16)25-20-17(12-23-25)19(21-13-22-20)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3
InChIKeyARJQFJNPZZZOSH-UHFFFAOYSA-N
XLogP3.52
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine (CID 891754) is 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine is COc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is ARJQFJNPZZZOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-26-16-8-6-15(7-9-16)25-20-17(12-23-25)19(21-13-22-20)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine?
4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 343.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 891754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).