1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

C28H29F3N4O2 — CID 147320237

About 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (PubChem CID 147320237) has the molecular formula C28H29F3N4O2 and a molecular weight of 510.56 g/mol. Its IUPAC name is 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

Molecular Properties

• Compound Name: 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
• PubChem CID: 147320237
• Molecular Formula: C28H29F3N4O2
• Molecular Weight: 510.56 g/mol
• Exact Mass: 510.22
• IUPAC Name: 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
• SMILES: CN(C)CCCOc1ccc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)cn1
• InChI: InChI=1S/C28H29F3N4O2/c1-34(2)12-4-14-37-27-8-7-23(18-33-27)21-10-13-35-25(19-32-26(35)17-21)22-6-3-5-20(15-22)16-24(36)9-11-28(29,30)31/h3,5-8,10,13,15,17-19H,4,9,11-12,14,16H2,1-2H3
• InChIKey: CZQQEYGLNZWVDP-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.56
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The IUPAC name of 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (CID 147320237) is 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

What is the SMILES notation for 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The canonical SMILES for 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is CN(C)CCCOc1ccc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)cn1.

What is the InChIKey of 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The InChIKey is CZQQEYGLNZWVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2/c1-34(2)12-4-14-37-27-8-7-23(18-33-27)21-10-13-35-25(19-32-26(35)17-21)22-6-3-5-20(15-22)16-24(36)9-11-28(29,30)31/h3,5-8,10,13,15,17-19H,4,9,11-12,14,16H2,1-2H3.

What are the key properties of 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one has a molecular weight of 510.56 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 147320237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).