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

C23H21ClF3N7O3S — CID 165126836

IUPAC6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)cc1
InChIInChI=1S/C23H21ClF3N7O3S/c1-2-17-20(33-12-16(24)7-8-18(33)29-17)22(35)28-11-14-3-5-15(6-4-14)21-30-19-13-32(9-10-34(19)31-21)38(36,37)23(25,26)27/h3-8,12H,2,9-11,13H2,1H3,(H,28,35)
InChIKeyATBZYZBSSXFSRS-UHFFFAOYSA-N
MW567.98 g/mol
LogP3.40
Rot. Bonds6

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

6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165126836) has the molecular formula C23H21ClF3N7O3S and a molecular weight of 567.98 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165126836
Molecular FormulaC23H21ClF3N7O3S
Molecular Weight567.98 g/mol
Exact Mass567.11
IUPAC Name6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)cc1
InChIInChI=1S/C23H21ClF3N7O3S/c1-2-17-20(33-12-16(24)7-8-18(33)29-17)22(35)28-11-14-3-5-15(6-4-14)21-30-19-13-32(9-10-34(19)31-21)38(36,37)23(25,26)27/h3-8,12H,2,9-11,13H2,1H3,(H,28,35)
InChIKeyATBZYZBSSXFSRS-UHFFFAOYSA-N
XLogP3.40
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.98
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165126836) is 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)cc1.
What is the InChIKey of 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ATBZYZBSSXFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N7O3S/c1-2-17-20(33-12-16(24)7-8-18(33)29-17)22(35)28-11-14-3-5-15(6-4-14)21-30-19-13-32(9-10-34(19)31-21)38(36,37)23(25,26)27/h3-8,12H,2,9-11,13H2,1H3,(H,28,35).
What are the key properties of 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 567.98 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165126836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).