N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide

C28H24F2N6O4 — CID 146432453

About N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide (PubChem CID 146432453) has the molecular formula C28H24F2N6O4 and a molecular weight of 546.53 g/mol. Its IUPAC name is N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 146432453
• Molecular Formula: C28H24F2N6O4
• Molecular Weight: 546.53 g/mol
• Exact Mass: 546.18
• IUPAC Name: N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1
• InChI: InChI=1S/C28H24F2N6O4/c1-15-11-20(28(39)36(13-15)19-6-3-17(29)4-7-19)27(38)33-18-5-8-22(21(30)12-18)40-23-9-10-31-25-24(23)26(35-34-25)32-16(2)14-37/h3-13,16,37H,14H2,1-2H3,(H,33,38)(H2,31,32,34,35)/t16-/m1/s1
• InChIKey: RSIRXFZBWSKWOR-MRXNPFEDSA-N
• XLogP: 4.53
• TPSA: 134.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.53
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide (CID 146432453) is N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]nc(N[C@H](C)CO)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1.

What is the InChIKey of N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is RSIRXFZBWSKWOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C28H24F2N6O4/c1-15-11-20(28(39)36(13-15)19-6-3-17(29)4-7-19)27(38)33-18-5-8-22(21(30)12-18)40-23-9-10-31-25-24(23)26(35-34-25)32-16(2)14-37/h3-13,16,37H,14H2,1-2H3,(H,33,38)(H2,31,32,34,35)/t16-/m1/s1.

What are the key properties of N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide?

N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 546.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 146432453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).