3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C26H19ClFN7O — CID 118572929

IUPAC3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCC(c1cc2cc(Cl)ccn2c1-c1ccccn1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C26H19ClFN7O/c1-14(20-12-18-10-16(27)5-7-34(18)24(20)21-4-2-3-6-30-21)35-26-22(25(29)31-13-32-26)23(33-35)15-8-17(28)11-19(36)9-15/h2-14,36H,1H3,(H2,29,31,32)
InChIKeyAZABZSCFRCGZOF-UHFFFAOYSA-N
MW499.94 g/mol
LogP5.50
Rot. Bonds4

About 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 118572929) has the molecular formula C26H19ClFN7O and a molecular weight of 499.94 g/mol. Its IUPAC name is 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID118572929
Molecular FormulaC26H19ClFN7O
Molecular Weight499.94 g/mol
Exact Mass499.13
IUPAC Name3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCC(c1cc2cc(Cl)ccn2c1-c1ccccn1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C26H19ClFN7O/c1-14(20-12-18-10-16(27)5-7-34(18)24(20)21-4-2-3-6-30-21)35-26-22(25(29)31-13-32-26)23(33-35)15-8-17(28)11-19(36)9-15/h2-14,36H,1H3,(H2,29,31,32)
InChIKeyAZABZSCFRCGZOF-UHFFFAOYSA-N
XLogP5.50
TPSA107.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.94
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44207797
CID 44207797
CID 44225813
CID 44225813
CID 44225814
CID 44225814
CID 44226028
CID 44226028
CID 44226447
CID 44226447
CID 44226449
CID 44226449
CID 46198375
CID 46198375
CID 46879449
CID 46879449
CID 46879450
CID 46879450
CID 46880075
CID 46880075
CID 46880102
CID 46880102
CID 46880103
CID 46880103

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 118572929) is 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is CC(c1cc2cc(Cl)ccn2c1-c1ccccn1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is AZABZSCFRCGZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN7O/c1-14(20-12-18-10-16(27)5-7-34(18)24(20)21-4-2-3-6-30-21)35-26-22(25(29)31-13-32-26)23(33-35)15-8-17(28)11-19(36)9-15/h2-14,36H,1H3,(H2,29,31,32).
What are the key properties of 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 499.94 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 118572929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).