3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

C20H16F3N9OS — CID 118168014

IUPAC3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-n4nncc4C(F)(F)F)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C20H16F3N9OS/c1-10-3-4-15(34-10)14-6-24-18-13(32-16(7-26-30-32)20(21,22)23)5-12(8-31(14)18)19(33)28-11(2)17-25-9-27-29-17/h3-9,11H,1-2H3,(H,28,33)(H,25,27,29)/t11-/m0/s1
InChIKeyIXZDODDOLYBXIU-NSHDSACASA-N
MW487.47 g/mol
LogP3.58
Rot. Bonds5

About 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide

3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168014) has the molecular formula C20H16F3N9OS and a molecular weight of 487.47 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168014
Molecular FormulaC20H16F3N9OS
Molecular Weight487.47 g/mol
Exact Mass487.12
IUPAC Name3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-n4nncc4C(F)(F)F)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1
InChIInChI=1S/C20H16F3N9OS/c1-10-3-4-15(34-10)14-6-24-18-13(32-16(7-26-30-32)20(21,22)23)5-12(8-31(14)18)19(33)28-11(2)17-25-9-27-29-17/h3-9,11H,1-2H3,(H,28,33)(H,25,27,29)/t11-/m0/s1
InChIKeyIXZDODDOLYBXIU-NSHDSACASA-N
XLogP3.58
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
(8-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 20620157
4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 59603981
US10100058, Example 36
CID 134539804
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-5-(thiophen-2-yl) nicotinamide
CID 118538746
US10100058, Example 232
CID 134539755
US10100058, Example 334
CID 134539766
5-(5-ethylthiophen-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000338
N-[2-(diethylamino)ethyl]-8-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 145966266
N-[2-(diethylamino)ethyl]-5-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 145971606
5-[7-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164622155
N-[(6R)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-b]pyridazin-3-yl-5-methylthiophene-2-carboxamide
CID 58046384

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168014) is 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(-c2cnc3c(-n4nncc4C(F)(F)F)cc(C(=O)N[C@@H](C)c4ncn[nH]4)cn23)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is IXZDODDOLYBXIU-NSHDSACASA-N. The full InChI is InChI=1S/C20H16F3N9OS/c1-10-3-4-15(34-10)14-6-24-18-13(32-16(7-26-30-32)20(21,22)23)5-12(8-31(14)18)19(33)28-11(2)17-25-9-27-29-17/h3-9,11H,1-2H3,(H,28,33)(H,25,27,29)/t11-/m0/s1.
What are the key properties of 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide?
3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 487.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).