6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one

C22H24F3N7O2 — CID 171102562

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171102562) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 171102562
• Molecular Formula: C22H24F3N7O2
• Molecular Weight: 475.48 g/mol
• Exact Mass: 475.19
• IUPAC Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cc1noc(C)c1N1CCc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2C1=O
• InChI: InChI=1S/C22H24F3N7O2/c1-11-19(12(2)34-31-11)32-7-5-14-15(9-27-18(14)20(32)33)17-16(22(23,24)25)10-28-21(30-17)29-13-4-3-6-26-8-13/h9-10,13,26-27H,3-8H2,1-2H3,(H,28,29,30)/t13-/m0/s1
• InChIKey: AUZJVFYQMZOLET-ZDUSSCGKSA-N
• XLogP: 3.46
• TPSA: 111.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.48
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one (CID 171102562) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1noc(C)c1N1CCc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2C1=O.

What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is AUZJVFYQMZOLET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H24F3N7O2/c1-11-19(12(2)34-31-11)32-7-5-14-15(9-27-18(14)20(32)33)17-16(22(23,24)25)10-28-21(30-17)29-13-4-3-6-26-8-13/h9-10,13,26-27H,3-8H2,1-2H3,(H,28,29,30)/t13-/m0/s1.

What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 475.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-4,5-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171102562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).