1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

C26H29F3N6O3S — CID 167533505

About 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (PubChem CID 167533505) has the molecular formula C26H29F3N6O3S and a molecular weight of 562.62 g/mol. Its IUPAC name is 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
• PubChem CID: 167533505
• Molecular Formula: C26H29F3N6O3S
• Molecular Weight: 562.62 g/mol
• Exact Mass: 562.20
• IUPAC Name: 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
• SMILES: CCc1nc2ccc(N3CCCC3)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
• InChI: InChI=1S/C26H29F3N6O3S/c1-2-22-25(34-17-21(10-12-24(34)31-22)32-13-3-4-14-32)23(36)11-7-19-5-8-20(9-6-19)35-16-15-33(18-30-35)39(37,38)26(27,28)29/h5-6,8-10,12,17-18H,2-4,7,11,13-16H2,1H3
• InChIKey: RWRHTTSJIXKPBK-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 90.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.62
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?

The IUPAC name of 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (CID 167533505) is 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is CCc1nc2ccc(N3CCCC3)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.

What is the InChIKey of 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?

The InChIKey is RWRHTTSJIXKPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O3S/c1-2-22-25(34-17-21(10-12-24(34)31-22)32-13-3-4-14-32)23(36)11-7-19-5-8-20(9-6-19)35-16-15-33(18-30-35)39(37,38)26(27,28)29/h5-6,8-10,12,17-18H,2-4,7,11,13-16H2,1H3.

What are the key properties of 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?

1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one has a molecular weight of 562.62 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 167533505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).