2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

C40H35ClF12N12O7S2 — CID 167644561

IUPAC2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)c1c(C(F)F)nc2ccccn12.O=C(O)c1c(C(F)F)nc2ccccn12
InChIInChI=1S/C20H16F6N6O3S.C11H12F4N4O2S.C9H6F2N2O2.ClH/c21-13-9-12(4-5-14(13)32-8-7-30(11-28-32)36(34,35)20(24,25)26)10-27-19(33)17-16(18(22)23)29-15-3-1-2-6-31(15)17;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6;/h1-6,9,11,18H,7-8,10H2,(H,27,33);1-2,5,7H,3-4,6,16H2;1-4,8H,(H,14,15);1H
InChIKeyRLXDVXZYRFWAJO-UHFFFAOYSA-N
MW1123.36 g/mol
LogP6.85
Rot. Bonds11

About 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167644561) has the molecular formula C40H35ClF12N12O7S2 and a molecular weight of 1123.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
PubChem CID167644561
Molecular FormulaC40H35ClF12N12O7S2
Molecular Weight1123.36 g/mol
Exact Mass1122.17
IUPAC Name2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)c1c(C(F)F)nc2ccccn12.O=C(O)c1c(C(F)F)nc2ccccn12
InChIInChI=1S/C20H16F6N6O3S.C11H12F4N4O2S.C9H6F2N2O2.ClH/c21-13-9-12(4-5-14(13)32-8-7-30(11-28-32)36(34,35)20(24,25)26)10-27-19(33)17-16(18(22)23)29-15-3-1-2-6-31(15)17;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6;/h1-6,9,11,18H,7-8,10H2,(H,27,33);1-2,5,7H,3-4,6,16H2;1-4,8H,(H,14,15);1H
InChIKeyRLXDVXZYRFWAJO-UHFFFAOYSA-N
XLogP6.85
TPSA232.98 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.36
LogP ≤ 56.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride with MolForge

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Related Compounds

2-ethyl-6-pyrrolidin-1-yl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160252
8-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 156160267
Methyl 1-[4-[[(2-ethyl-6-methyl-imidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazine-3-carboxylate
CID 165126372
N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 165414018
2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165414091
2-(difluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165414103
2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165414119
N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 165414120
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 157810433
4-[6-(4-Fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 158445405
8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 158503217
Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methanamine
CID 159245797

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167644561) is 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)c1c(C(F)F)nc2ccccn12.O=C(O)c1c(C(F)F)nc2ccccn12.
What is the InChIKey of 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
The InChIKey is RLXDVXZYRFWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N6O3S.C11H12F4N4O2S.C9H6F2N2O2.ClH/c21-13-9-12(4-5-14(13)32-8-7-30(11-28-32)36(34,35)20(24,25)26)10-27-19(33)17-16(18(22)23)29-15-3-1-2-6-31(15)17;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6;/h1-6,9,11,18H,7-8,10H2,(H,27,33);1-2,5,7H,3-4,6,16H2;1-4,8H,(H,14,15);1H.
What are the key properties of 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?
2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1123.36 g/mol, XLogP of 6.85, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167644561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).