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

C26H20FN7O — CID 137017647

IUPAC4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESCC(c1cc2ccccn2c1-c1ccccn1)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21
InChIInChI=1S/C26H20FN7O/c1-15(18-13-17-6-3-5-11-33(17)24(18)20-7-2-4-10-29-20)34-26-22(25(28)30-14-31-26)23(32-34)16-8-9-21(35)19(27)12-16/h2-15,35H,1H3,(H2,28,30,31)
InChIKeyXUTWEGKTQVRMGQ-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.84
Rot. Bonds4

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

4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (PubChem CID 137017647) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
PubChem CID137017647
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC Name4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESCC(c1cc2ccccn2c1-c1ccccn1)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21
InChIInChI=1S/C26H20FN7O/c1-15(18-13-17-6-3-5-11-33(17)24(18)20-7-2-4-10-29-20)34-26-22(25(28)30-14-31-26)23(32-34)16-8-9-21(35)19(27)12-16/h2-15,35H,1H3,(H2,28,30,31)
InChIKeyXUTWEGKTQVRMGQ-UHFFFAOYSA-N
XLogP4.84
TPSA107.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-amino-5-fluorophenyl)-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118573005
3-[3-(2,3-dihydro-1H-tetrazol-5-yl)-5-fluorophenyl]-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118612200
3-[4-amino-1-[1-[3-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573395
ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 144980078
6-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 118572891
1-[1-(7-chloro-3-pyridin-2-ylindolizin-2-yl)ethyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 118573397
3-[4-amino-1-[1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573218
1-(3-pyridin-2-ylindolizin-2-yl)ethanamine
CID 118573040
3-[1-[4-amino-3-(3-fluoro-4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-fluoro-2-phenylisoquinolin-1-one
CID 136933491
N-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-N-propylacetamide
CID 149474081
3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386252
3-[4-amino-1-[1-[7-[3-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazin-6-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118572928

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The IUPAC name of 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (CID 137017647) is 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.
What is the SMILES notation for 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The canonical SMILES for 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is CC(c1cc2ccccn2c1-c1ccccn1)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21.
What is the InChIKey of 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The InChIKey is XUTWEGKTQVRMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-15(18-13-17-6-3-5-11-33(17)24(18)20-7-2-4-10-29-20)34-26-22(25(28)30-14-31-26)23(32-34)16-8-9-21(35)19(27)12-16/h2-15,35H,1H3,(H2,28,30,31).
What are the key properties of 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol has a molecular weight of 465.49 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is sourced from PubChem (CID 137017647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).