1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

C20H23F3N6O2 — CID 167449935

About 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 167449935) has the molecular formula C20H23F3N6O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
• PubChem CID: 167449935
• Molecular Formula: C20H23F3N6O2
• Molecular Weight: 436.44 g/mol
• Exact Mass: 436.18
• IUPAC Name: 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
• SMILES: COc1cc2ncc(-c3ccnc(NC4CCCNC4)n3)n2cc1C(C)(O)C(F)(F)F
• InChI: InChI=1S/C20H23F3N6O2/c1-19(30,20(21,22)23)13-11-29-15(10-26-17(29)8-16(13)31-2)14-5-7-25-18(28-14)27-12-4-3-6-24-9-12/h5,7-8,10-12,24,30H,3-4,6,9H2,1-2H3,(H,25,27,28)
• InChIKey: BFYYNOOTRFWNTN-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 96.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The IUPAC name of 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 167449935) is 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is COc1cc2ncc(-c3ccnc(NC4CCCNC4)n3)n2cc1C(C)(O)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The InChIKey is BFYYNOOTRFWNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O2/c1-19(30,20(21,22)23)13-11-29-15(10-26-17(29)8-16(13)31-2)14-5-7-25-18(28-14)27-12-4-3-6-24-9-12/h5,7-8,10-12,24,30H,3-4,6,9H2,1-2H3,(H,25,27,28).

What are the key properties of 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 436.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 167449935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).