3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C26H26FN7O2 — CID 118573131

IUPAC3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCC(c1cc2ccccn2c1CN1CCOCC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C26H26FN7O2/c1-16(21-13-19-4-2-3-5-33(19)22(21)14-32-6-8-36-9-7-32)34-26-23(25(28)29-15-30-26)24(31-34)17-10-18(27)12-20(35)11-17/h2-5,10-13,15-16,35H,6-9,14H2,1H3,(H2,28,29,30)
InChIKeyYYXAJTDZWOEUMJ-UHFFFAOYSA-N
MW487.54 g/mol
LogP3.61
Rot. Bonds5

About 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 118573131) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID118573131
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC Name3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCC(c1cc2ccccn2c1CN1CCOCC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C26H26FN7O2/c1-16(21-13-19-4-2-3-5-33(19)22(21)14-32-6-8-36-9-7-32)34-26-23(25(28)29-15-30-26)24(31-34)17-10-18(27)12-20(35)11-17/h2-5,10-13,15-16,35H,6-9,14H2,1H3,(H2,28,29,30)
InChIKeyYYXAJTDZWOEUMJ-UHFFFAOYSA-N
XLogP3.61
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Etp-45658
CID 25229608
Pyrazolo pyrimidine, 1
CID 44232672
3-(4-Morpholin-4-yl-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-phenol
CID 44520808
3-[1-(1-Benzyl-piperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenol
CID 44520812
Ethyl 3-(3-(3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44225586
3-(3-Hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226447
5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
1-((1S,4S)-5-(4-(3-(4-fluoro-3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 46879450
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 118573131) is 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is CC(c1cc2ccccn2c1CN1CCOCC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is YYXAJTDZWOEUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-16(21-13-19-4-2-3-5-33(19)22(21)14-32-6-8-36-9-7-32)34-26-23(25(28)29-15-30-26)24(31-34)17-10-18(27)12-20(35)11-17/h2-5,10-13,15-16,35H,6-9,14H2,1H3,(H2,28,29,30).
What are the key properties of 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 487.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 118573131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).