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

C20H17FN8O2 — CID 56645936

IUPAC3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N1CCOC1=O
InChIInChI=1S/C20H17FN8O2/c21-13-6-2-1-4-11(13)10-29-19-12(5-3-7-24-19)14(27-29)18-25-16(22)15(17(23)26-18)28-8-9-31-20(28)30/h1-7H,8-10H2,(H4,22,23,25,26)
InChIKeyWEGCIGBILLJNFJ-UHFFFAOYSA-N
MW420.41 g/mol
LogP2.20
Rot. Bonds4

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

3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 56645936) has the molecular formula C20H17FN8O2 and a molecular weight of 420.41 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]-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]-1,3-oxazolidin-2-one
PubChem CID56645936
Molecular FormulaC20H17FN8O2
Molecular Weight420.41 g/mol
Exact Mass420.15
IUPAC Name3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,3-oxazolidin-2-one
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N1CCOC1=O
InChIInChI=1S/C20H17FN8O2/c21-13-6-2-1-4-11(13)10-29-19-12(5-3-7-24-19)14(27-29)18-25-16(22)15(17(23)26-18)28-8-9-31-20(28)30/h1-7H,8-10H2,(H4,22,23,25,26)
InChIKeyWEGCIGBILLJNFJ-UHFFFAOYSA-N
XLogP2.20
TPSA138.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 52.20
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]-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

Related Compounds

Riociguat
CID 11304743
Vericiguat
CID 54674461
Azd-7648
CID 135151360
Adipiplon
CID 11198924
Bms-599626
CID 10437018
Tizaterkib
CID 129116690
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Gsk-3494245
CID 126571915
Nelociguat
CID 11690019
Bay-41-8543
CID 9953906
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 18
CID 25261231

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]-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]-1,3-oxazolidin-2-one (CID 56645936) is 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-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]-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]-1,3-oxazolidin-2-one is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N1CCOC1=O.
What is the InChIKey of 3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is WEGCIGBILLJNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8O2/c21-13-6-2-1-4-11(13)10-29-19-12(5-3-7-24-19)14(27-29)18-25-16(22)15(17(23)26-18)28-8-9-31-20(28)30/h1-7H,8-10H2,(H4,22,23,25,26).
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]-1,3-oxazolidin-2-one?
3-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 420.41 g/mol, XLogP of 2.20, 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]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56645936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).