7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H20ClF4N9O3S — CID 171395410

About 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171395410) has the molecular formula C22H20ClF4N9O3S and a molecular weight of 601.97 g/mol. Its IUPAC name is 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171395410
• Molecular Formula: C22H20ClF4N9O3S
• Molecular Weight: 601.97 g/mol
• Exact Mass: 601.10
• IUPAC Name: 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2cc(N)c(Cl)cn2c1C(=O)NCc1cnc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)c(F)c1
• InChI: InChI=1S/C22H20ClF4N9O3S/c1-2-15-19(35-9-12(23)14(28)6-16(35)31-15)21(37)30-8-11-5-13(24)18(29-7-11)20-32-17-10-34(3-4-36(17)33-20)40(38,39)22(25,26)27/h5-7,9H,2-4,8,10,28H2,1H3,(H,30,37)
• InChIKey: TYMYIFCHKOVYQP-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 153.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.97
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 171395410) is 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(N)c(Cl)cn2c1C(=O)NCc1cnc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)c(F)c1.

What is the InChIKey of 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is TYMYIFCHKOVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF4N9O3S/c1-2-15-19(35-9-12(23)14(28)6-16(35)31-15)21(37)30-8-11-5-13(24)18(29-7-11)20-32-17-10-34(3-4-36(17)33-20)40(38,39)22(25,26)27/h5-7,9H,2-4,8,10,28H2,1H3,(H,30,37).

What are the key properties of 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 601.97 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171395410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).