3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone)

C52H34Cl3F9N16O4S2 — CID 161026548

About 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone)

3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone) (PubChem CID 161026548) has the molecular formula C52H34Cl3F9N16O4S2 and a molecular weight of 1288.43 g/mol. Its IUPAC name is 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone).

Molecular Properties

• Compound Name: 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone)
• PubChem CID: 161026548
• Molecular Formula: C52H34Cl3F9N16O4S2
• Molecular Weight: 1288.43 g/mol
• Exact Mass: 1286.13
• IUPAC Name: 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone)
• SMILES: O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl)N1CC=C(c2nccs2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl)N1CC=C(c2nccs2)CC1
• InChI: InChI=1S/2C20H14ClF3N6OS.C12H6ClF3N4O2/c2*21-16-15(19(31)29-6-2-11(3-7-29)18-25-5-8-32-18)27-17-13(20(22,23)24)9-12(10-30(16)17)14-1-4-26-28-14;13-9-8(11(21)22)18-10-6(12(14,15)16)3-5(4-20(9)10)7-1-2-17-19-7/h2*1-2,4-5,8-10H,3,6-7H2,(H,26,28);1-4H,(H,17,19)(H,21,22)
• InChIKey: TZAZTIHOZWXEBC-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 241.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1288.43
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone)?

The IUPAC name of 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone) (CID 161026548) is 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone).

What is the SMILES notation for 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone)?

The canonical SMILES for 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone) is O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl)N1CC=C(c2nccs2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl)N1CC=C(c2nccs2)CC1.

What is the InChIKey of 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone)?

The InChIKey is TZAZTIHOZWXEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14ClF3N6OS.C12H6ClF3N4O2/c2*21-16-15(19(31)29-6-2-11(3-7-29)18-25-5-8-32-18)27-17-13(20(22,23)24)9-12(10-30(16)17)14-1-4-26-28-14;13-9-8(11(21)22)18-10-6(12(14,15)16)3-5(4-20(9)10)7-1-2-17-19-7/h2*1-2,4-5,8-10H,3,6-7H2,(H,26,28);1-4H,(H,17,19)(H,21,22).

What are the key properties of 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone)?

3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone) has a molecular weight of 1288.43 g/mol, XLogP of 12.66, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;bis([3-chloro-6-(1H-pyrazol-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone) is sourced from PubChem (CID 161026548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).