1-tritylpyrazolo[3,4-d]pyrimidine

C24H18N4 — CID 123834487

IUPAC1-tritylpyrazolo[3,4-d]pyrimidine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2ncc3cncnc32)cc1
InChIInChI=1S/C24H18N4/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)28-23-19(17-27-28)16-25-18-26-23/h1-18H
InChIKeyDOYPWZRSMJHSNU-UHFFFAOYSA-N
MW362.44 g/mol
LogP4.67
Rot. Bonds4

About 1-tritylpyrazolo[3,4-d]pyrimidine

1-tritylpyrazolo[3,4-d]pyrimidine (PubChem CID 123834487) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-tritylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-tritylpyrazolo[3,4-d]pyrimidine
PubChem CID123834487
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name1-tritylpyrazolo[3,4-d]pyrimidine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2ncc3cncnc32)cc1
InChIInChI=1S/C24H18N4/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)28-23-19(17-27-28)16-25-18-26-23/h1-18H
InChIKeyDOYPWZRSMJHSNU-UHFFFAOYSA-N
XLogP4.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1-tritylpyrazolo[3,4-b]pyridine
CID 141346656
N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine
CID 174995659
7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine
CID 174558301
7-fluoro-1-tritylindazol-6-amine
CID 135242117
6-ethenyl-1-tritylindazole
CID 165138891
5-(4-methylphenyl)-1-trityl-1,2,4-triazole
CID 22358185
methyl 1-tritylindazole-6-carboxylate
CID 172754699
1-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethyl-1-pyrazolo[3,4-d]pyrimidin-1-ylpropan-1-ol
CID 155164653
2-morpholin-4-yl-2-piperidin-1-yl-2-pyrazolo[3,4-d]pyrimidin-1-ylacetic acid
CID 69279734
1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine
CID 150874937
4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine
CID 118917067
methyl 1-tritylindazole-5-carboxylate
CID 141058528

Frequently Asked Questions

What is the IUPAC name of 1-tritylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-tritylpyrazolo[3,4-d]pyrimidine (CID 123834487) is 1-tritylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-tritylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-tritylpyrazolo[3,4-d]pyrimidine is c1ccc(C(c2ccccc2)(c2ccccc2)n2ncc3cncnc32)cc1.
What is the InChIKey of 1-tritylpyrazolo[3,4-d]pyrimidine?
The InChIKey is DOYPWZRSMJHSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)28-23-19(17-27-28)16-25-18-26-23/h1-18H.
What are the key properties of 1-tritylpyrazolo[3,4-d]pyrimidine?
1-tritylpyrazolo[3,4-d]pyrimidine has a molecular weight of 362.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 123834487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).