4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one

C32H31FN8O3 — CID 118573015

IUPAC4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
SMILESCC(c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C32H31FN8O3/c1-20(41-32-28(31(34)35-19-36-32)29(37-41)22-14-23(33)17-25(42)15-22)26-18-24-4-2-3-6-40(24)30(26)21-5-7-39(27(43)16-21)9-8-38-10-12-44-13-11-38/h2-7,14-20,42H,8-13H2,1H3,(H2,34,35,36)
InChIKeyNBFICFJEUMXPQC-UHFFFAOYSA-N
MW594.65 g/mol
LogP3.94
Rot. Bonds7

About 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one

4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one (PubChem CID 118573015) has the molecular formula C32H31FN8O3 and a molecular weight of 594.65 g/mol. Its IUPAC name is 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
PubChem CID118573015
Molecular FormulaC32H31FN8O3
Molecular Weight594.65 g/mol
Exact Mass594.25
IUPAC Name4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
SMILESCC(c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C32H31FN8O3/c1-20(41-32-28(31(34)35-19-36-32)29(37-41)22-14-23(33)17-25(42)15-22)26-18-24-4-2-3-6-40(24)30(26)21-5-7-39(27(43)16-21)9-8-38-10-12-44-13-11-38/h2-7,14-20,42H,8-13H2,1H3,(H2,34,35,36)
InChIKeyNBFICFJEUMXPQC-UHFFFAOYSA-N
XLogP3.94
TPSA128.73 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.65
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The IUPAC name of 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one (CID 118573015) is 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one.
What is the SMILES notation for 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The canonical SMILES for 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one is CC(c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one?
The InChIKey is NBFICFJEUMXPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN8O3/c1-20(41-32-28(31(34)35-19-36-32)29(37-41)22-14-23(33)17-25(42)15-22)26-18-24-4-2-3-6-40(24)30(26)21-5-7-39(27(43)16-21)9-8-38-10-12-44-13-11-38/h2-7,14-20,42H,8-13H2,1H3,(H2,34,35,36).
What are the key properties of 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one?
4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one has a molecular weight of 594.65 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one is sourced from PubChem (CID 118573015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).