tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride

C62H70ClF2N15O8S2 — CID 160604947

About tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride

tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride (PubChem CID 160604947) has the molecular formula C62H70ClF2N15O8S2 and a molecular weight of 1290.92 g/mol. Its IUPAC name is tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride
• PubChem CID: 160604947
• Molecular Formula: C62H70ClF2N15O8S2
• Molecular Weight: 1290.92 g/mol
• Exact Mass: 1289.46
• IUPAC Name: tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)CC1CCn2cc(-c3cccc(F)c3)nc2C1.Cc1cccc(-c2cnn(C)c2C(=O)CO)n1.Cc1csc(-c2cnn(C)c2C(=O)O)n1.Cc1nnc(-c2cnn(C)c2C(=O)CO)s1.Cl.NC1CCn2cc(-c3cccc(F)c3)nc2C1
• InChI: InChI=1S/C19H23FN2O2.C13H14FN3.C12H13N3O2.C9H10N4O2S.C9H9N3O2S.ClH/c1-19(2,3)24-18(23)10-13-7-8-22-12-16(21-17(22)9-13)14-5-4-6-15(20)11-14;14-10-3-1-2-9(6-10)12-8-17-5-4-11(15)7-13(17)16-12;1-8-4-3-5-10(14-8)9-6-13-15(2)12(9)11(17)7-16;1-5-11-12-9(16-5)6-3-10-13(2)8(6)7(15)4-14;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;/h4-6,11-13H,7-10H2,1-3H3;1-3,6,8,11H,4-5,7,15H2;3-6,16H,7H2,1-2H3;3,14H,4H2,1-2H3;3-4H,1-2H3,(H,13,14);1H
• InChIKey: ZXAUKJJSTRZZIT-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 304.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1290.92
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride?

The IUPAC name of tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride (CID 160604947) is tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride.

What is the SMILES notation for tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride?

The canonical SMILES for tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)CC1CCn2cc(-c3cccc(F)c3)nc2C1.Cc1cccc(-c2cnn(C)c2C(=O)CO)n1.Cc1csc(-c2cnn(C)c2C(=O)O)n1.Cc1nnc(-c2cnn(C)c2C(=O)CO)s1.Cl.NC1CCn2cc(-c3cccc(F)c3)nc2C1.

What is the InChIKey of tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride?

The InChIKey is ZXAUKJJSTRZZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2.C13H14FN3.C12H13N3O2.C9H10N4O2S.C9H9N3O2S.ClH/c1-19(2,3)24-18(23)10-13-7-8-22-12-16(21-17(22)9-13)14-5-4-6-15(20)11-14;14-10-3-1-2-9(6-10)12-8-17-5-4-11(15)7-13(17)16-12;1-8-4-3-5-10(14-8)9-6-13-15(2)12(9)11(17)7-16;1-5-11-12-9(16-5)6-3-10-13(2)8(6)7(15)4-14;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;/h4-6,11-13H,7-10H2,1-3H3;1-3,6,8,11H,4-5,7,15H2;3-6,16H,7H2,1-2H3;3,14H,4H2,1-2H3;3-4H,1-2H3,(H,13,14);1H.

What are the key properties of tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride?

tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 1290.92 g/mol, XLogP of 9.31, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 160604947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).