4-[2-[(1R)-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-[(1S)-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

C64H62F2N16O6 — CID 160659353

IUPAC4-[2-[(1R)-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-[(1S)-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
SMILESC[C@@H](c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.C[C@H](c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/2C32H31FN8O3/c2*1-20(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*2-7,14-20,42H,8-13H2,1H3,(H2,34,35,36)/t2*20-/m10/s1
InChIKeyRLLVNZRCPAOSGJ-ZCLATKBISA-N
MW1189.30 g/mol
LogP7.89
Rot. Bonds14

About 4-[2-[(1R)-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-[(1S)-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-[(1R)-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-[(1S)-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 160659353) has the molecular formula C64H62F2N16O6 and a molecular weight of 1189.30 g/mol. Its IUPAC name is 4-[2-[(1R)-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-[(1S)-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-[(1R)-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-[(1S)-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 CID160659353
Molecular FormulaC64H62F2N16O6
Molecular Weight1189.30 g/mol
Exact Mass1188.50
IUPAC Name4-[2-[(1R)-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-[(1S)-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
SMILESC[C@@H](c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.C[C@H](c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/2C32H31FN8O3/c2*1-20(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*2-7,14-20,42H,8-13H2,1H3,(H2,34,35,36)/t2*20-/m10/s1
InChIKeyRLLVNZRCPAOSGJ-ZCLATKBISA-N
XLogP7.89
TPSA257.46 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.30
LogP ≤ 57.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 4-[2-[(1R)-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-[(1S)-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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Related Compounds

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
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
5-[(1S)-1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-methoxy-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 177646360
US12473304, Example 109
CID 168765987
1-[(1R,4R)-5-[4-[3-(4-fluoro-3-hydroxyphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 59177939
2-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-[6-oxo-6-(4-propan-2-ylpiperazin-1-yl)hex-1-ynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73671797
1-[5-[4-[3-(4-Fluoro-3-hydroxyphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 75223634
3-[4-Amino-1-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78320003
3-[4-Amino-1-[[4-[2-(dimethylamino)ethyl-(oxan-4-yl)amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78321586
3-[4-Amino-1-[[5-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78324089
3-[4-amino-1-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78324390
1-[2-[[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]piperidine-4-carboxamide
CID 90344788

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R)-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-[(1S)-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-[(1R)-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-[(1S)-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 160659353) is 4-[2-[(1R)-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-[(1S)-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-[(1R)-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-[(1S)-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-[(1R)-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-[(1S)-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 C[C@@H](c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.C[C@H](c1cc2ccccn2c1-c1ccn(CCN2CCOCC2)c(=O)c1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
What is the InChIKey of 4-[2-[(1R)-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-[(1S)-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 RLLVNZRCPAOSGJ-ZCLATKBISA-N. The full InChI is InChI=1S/2C32H31FN8O3/c2*1-20(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*2-7,14-20,42H,8-13H2,1H3,(H2,34,35,36)/t2*20-/m10/s1.
What are the key properties of 4-[2-[(1R)-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-[(1S)-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-[(1R)-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-[(1S)-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 1189.30 g/mol, XLogP of 7.89, 14 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R)-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-[(1S)-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 160659353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).