2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one

C25H17F2N7O2 — CID 140863997

IUPAC2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
SMILESCC(c1oc2cccc(F)c2c(=O)c1-c1cccc(F)c1)n1nc(C2=CN=NC2)c2c(N)ncnc21
InChIInChI=1S/C25H17F2N7O2/c1-12(34-25-20(24(28)29-11-30-25)21(33-34)14-9-31-32-10-14)23-18(13-4-2-5-15(26)8-13)22(35)19-16(27)6-3-7-17(19)36-23/h2-9,11-12H,10H2,1H3,(H2,28,29,30)
InChIKeyUYIQQDAUENTZFH-UHFFFAOYSA-N
MW485.45 g/mol
LogP4.88
Rot. Bonds4

About 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one

2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one (PubChem CID 140863997) has the molecular formula C25H17F2N7O2 and a molecular weight of 485.45 g/mol. Its IUPAC name is 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
PubChem CID140863997
Molecular FormulaC25H17F2N7O2
Molecular Weight485.45 g/mol
Exact Mass485.14
IUPAC Name2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
SMILESCC(c1oc2cccc(F)c2c(=O)c1-c1cccc(F)c1)n1nc(C2=CN=NC2)c2c(N)ncnc21
InChIInChI=1S/C25H17F2N7O2/c1-12(34-25-20(24(28)29-11-30-25)21(33-34)14-9-31-32-10-14)23-18(13-4-2-5-15(26)8-13)22(35)19-16(27)6-3-7-17(19)36-23/h2-9,11-12H,10H2,1H3,(H2,28,29,30)
InChIKeyUYIQQDAUENTZFH-UHFFFAOYSA-N
XLogP4.88
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The IUPAC name of 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one (CID 140863997) is 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one.
What is the SMILES notation for 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The canonical SMILES for 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one is CC(c1oc2cccc(F)c2c(=O)c1-c1cccc(F)c1)n1nc(C2=CN=NC2)c2c(N)ncnc21.
What is the InChIKey of 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The InChIKey is UYIQQDAUENTZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N7O2/c1-12(34-25-20(24(28)29-11-30-25)21(33-34)14-9-31-32-10-14)23-18(13-4-2-5-15(26)8-13)22(35)19-16(27)6-3-7-17(19)36-23/h2-9,11-12H,10H2,1H3,(H2,28,29,30).
What are the key properties of 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one?
2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one has a molecular weight of 485.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-amino-3-(3H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one is sourced from PubChem (CID 140863997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).