5-fluoro-1-tritylpyrazolo[3,4-b]pyridine

C25H18FN3 — CID 141346656

IUPAC5-fluoro-1-tritylpyrazolo[3,4-b]pyridine
SMILESFc1cnc2c(cnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H18FN3/c26-23-16-19-17-28-29(24(19)27-18-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChIKeyUIMNIRXLDSHJDN-UHFFFAOYSA-N
MW379.44 g/mol
LogP5.41
Rot. Bonds4

About 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine

5-fluoro-1-tritylpyrazolo[3,4-b]pyridine (PubChem CID 141346656) has the molecular formula C25H18FN3 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-1-tritylpyrazolo[3,4-b]pyridine
PubChem CID141346656
Molecular FormulaC25H18FN3
Molecular Weight379.44 g/mol
Exact Mass379.15
IUPAC Name5-fluoro-1-tritylpyrazolo[3,4-b]pyridine
SMILESFc1cnc2c(cnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H18FN3/c26-23-16-19-17-28-29(24(19)27-18-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H
InChIKeyUIMNIRXLDSHJDN-UHFFFAOYSA-N
XLogP5.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tritylpyrazolo[3,4-d]pyrimidine
CID 123834487
5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine
CID 176620839
5-(3,5-difluorophenyl)sulfonyl-1-tritylindazole
CID 141209515
7-fluoro-1-tritylindazol-6-amine
CID 135242117
6-ethenyl-1-tritylindazole
CID 165138891
N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine
CID 174995659
methyl 1-tritylindazole-5-carboxylate
CID 141058528
methyl 1-tritylindazole-6-carboxylate
CID 172754699
N-[(4-fluorophenyl)methyl]-1-(6-nitro-1-tritylindazol-5-yl)ethanamine
CID 135307126
7-[(4-fluorophenyl)methyl]-1-trityl-6,9-dihydro-5H-pyrazolo[4,3-h][1,3]benzodiazepin-8-one
CID 136997202
ethyl 1-tritylindazole-5-carboxylate
CID 141079156
(2S,3R)-3-[[3-fluoro-6-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 67989303

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine?
The IUPAC name of 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine (CID 141346656) is 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine is Fc1cnc2c(cnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine?
The InChIKey is UIMNIRXLDSHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3/c26-23-16-19-17-28-29(24(19)27-18-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H.
What are the key properties of 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine?
5-fluoro-1-tritylpyrazolo[3,4-b]pyridine has a molecular weight of 379.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-tritylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 141346656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).