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

C20H17N5 — CID 891582

IUPAC4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1cccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)c1
InChIInChI=1S/C20H17N5/c1-14-5-4-7-16(11-14)25-20-17(12-23-25)19(21-13-22-20)24-10-9-15-6-2-3-8-18(15)24/h2-8,11-13H,9-10H2,1H3
InChIKeyJDPDFXLPCVOESS-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.82
Rot. Bonds2

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

4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 891582) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID891582
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1cccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)c1
InChIInChI=1S/C20H17N5/c1-14-5-4-7-16(11-14)25-20-17(12-23-25)19(21-13-22-20)24-10-9-15-6-2-3-8-18(15)24/h2-8,11-13H,9-10H2,1H3
InChIKeyJDPDFXLPCVOESS-UHFFFAOYSA-N
XLogP3.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine (CID 891582) is 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine is Cc1cccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is JDPDFXLPCVOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-14-5-4-7-16(11-14)25-20-17(12-23-25)19(21-13-22-20)24-10-9-15-6-2-3-8-18(15)24/h2-8,11-13H,9-10H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 327.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 891582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).