1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

C46H51ClF6N10O6S2 — CID 167543880

IUPAC1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
SMILESCCC1=NN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2n(c1C(=O)CCc1ccc(N3CCN(S(=O)(=O)C(F)(F)F)C=N3)cc1)CCCC2
InChIInChI=1S/C24H25ClF3N5O3S.C22H26F3N5O3S/c1-3-19-23(31-15-17(25)8-12-22(31)29-19)20(34)11-7-16-5-9-18(10-6-16)32-13-14-33(21(4-2)30-32)37(35,36)24(26,27)28;1-2-18-21(29-12-4-3-5-20(29)27-18)19(31)11-8-16-6-9-17(10-7-16)30-14-13-28(15-26-30)34(32,33)22(23,24)25/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3;6-7,9-10,15H,2-5,8,11-14H2,1H3
InChIKeyBNROQRUEZMOBSM-UHFFFAOYSA-N
MW1053.55 g/mol
LogP8.57
Rot. Bonds15

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[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 167543880) has the molecular formula C46H51ClF6N10O6S2 and a molecular weight of 1053.55 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[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 Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
PubChem CID167543880
Molecular FormulaC46H51ClF6N10O6S2
Molecular Weight1053.55 g/mol
Exact Mass1052.30
IUPAC Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
SMILESCCC1=NN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2n(c1C(=O)CCc1ccc(N3CCN(S(=O)(=O)C(F)(F)F)C=N3)cc1)CCCC2
InChIInChI=1S/C24H25ClF3N5O3S.C22H26F3N5O3S/c1-3-19-23(31-15-17(25)8-12-22(31)29-19)20(34)11-7-16-5-9-18(10-6-16)32-13-14-33(21(4-2)30-32)37(35,36)24(26,27)28;1-2-18-21(29-12-4-3-5-20(29)27-18)19(31)11-8-16-6-9-17(10-7-16)30-14-13-28(15-26-30)34(32,33)22(23,24)25/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3;6-7,9-10,15H,2-5,8,11-14H2,1H3
InChIKeyBNROQRUEZMOBSM-UHFFFAOYSA-N
XLogP8.57
TPSA175.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.55
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one with MolForge

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Related Compounds

6-chloro-2-ethyl-N-[[3-methyl-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160061
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160109
6-chloro-N-[[4-[3-(cyanomethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 156160163
8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 156160190
6-chloro-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 156160191
6-chloro-2-ethyl-N-[[2-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160224
6-chloro-2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 156160284
6-chloro-2-ethyl-N-[[4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156649143
6-chloro-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156649150
6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluoro-phenyl]methyl]-2-ethyl-8-fluoro-imidazo[1,2-a]pyridine-3-carboxamide
CID 165126351
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-8-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165126363
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 165126392

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[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-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (CID 167543880) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[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-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[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-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is CCC1=NN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2n(c1C(=O)CCc1ccc(N3CCN(S(=O)(=O)C(F)(F)F)C=N3)cc1)CCCC2.
What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[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 BNROQRUEZMOBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O3S.C22H26F3N5O3S/c1-3-19-23(31-15-17(25)8-12-22(31)29-19)20(34)11-7-16-5-9-18(10-6-16)32-13-14-33(21(4-2)30-32)37(35,36)24(26,27)28;1-2-18-21(29-12-4-3-5-20(29)27-18)19(31)11-8-16-6-9-17(10-7-16)30-14-13-28(15-26-30)34(32,33)22(23,24)25/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3;6-7,9-10,15H,2-5,8,11-14H2,1H3.
What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[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 1053.55 g/mol, XLogP of 8.57, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[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 167543880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).