3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one

C22H21FN8O2 — CID 56645935

IUPAC3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C(=O)O1
InChIInChI=1S/C22H21FN8O2/c1-22(2)11-30(21(32)33-22)16-17(24)27-19(28-18(16)25)15-13-7-5-9-26-20(13)31(29-15)10-12-6-3-4-8-14(12)23/h3-9H,10-11H2,1-2H3,(H4,24,25,27,28)
InChIKeyDOIMKPWVXJBXSK-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.98
Rot. Bonds4

About 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one

3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 56645935) has the molecular formula C22H21FN8O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID56645935
Molecular FormulaC22H21FN8O2
Molecular Weight448.46 g/mol
Exact Mass448.18
IUPAC Name3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C(=O)O1
InChIInChI=1S/C22H21FN8O2/c1-22(2)11-30(21(32)33-22)16-17(24)27-19(28-18(16)25)15-13-7-5-9-26-20(13)31(29-15)10-12-6-3-4-8-14(12)23/h3-9H,10-11H2,1-2H3,(H4,24,25,27,28)
InChIKeyDOIMKPWVXJBXSK-UHFFFAOYSA-N
XLogP2.98
TPSA138.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-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-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 56645935) is 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)CN(c2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C(=O)O1.
What is the InChIKey of 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is DOIMKPWVXJBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O2/c1-22(2)11-30(21(32)33-22)16-17(24)27-19(28-18(16)25)15-13-7-5-9-26-20(13)31(29-15)10-12-6-3-4-8-14(12)23/h3-9H,10-11H2,1-2H3,(H4,24,25,27,28).
What are the key properties of 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 448.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 56645935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).