3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H22FN7O2 — CID 20794226

IUPAC3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChIInChI=1S/C23H22FN7O2/c1-13(2)18-12-33-23(32)31(18)17-10-27-21(28-20(17)25)19-15-7-5-9-26-22(15)30(29-19)11-14-6-3-4-8-16(14)24/h3-10,13,18H,11-12H2,1-2H3,(H2,25,27,28)
InChIKeyNVKIIFUSTLFKFZ-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.64
Rot. Bonds5

About 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 20794226) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID20794226
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChIInChI=1S/C23H22FN7O2/c1-13(2)18-12-33-23(32)31(18)17-10-27-21(28-20(17)25)19-15-7-5-9-26-22(15)30(29-19)11-14-6-3-4-8-16(14)24/h3-10,13,18H,11-12H2,1-2H3,(H2,25,27,28)
InChIKeyNVKIIFUSTLFKFZ-UHFFFAOYSA-N
XLogP3.64
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-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 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 20794226) is 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N.
What is the InChIKey of 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NVKIIFUSTLFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-13(2)18-12-33-23(32)31(18)17-10-27-21(28-20(17)25)19-15-7-5-9-26-22(15)30(29-19)11-14-6-3-4-8-16(14)24/h3-10,13,18H,11-12H2,1-2H3,(H2,25,27,28).
What are the key properties of 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 447.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 20794226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).