tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride — IUPAC name, SMILES, InChIKey & properties

Name: tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride

tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride (PubChem CID 160729078) has the molecular formula C50H56ClF2N11O6S2 and a molecular weight of 1044.65 g/mol. Its IUPAC name is tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name	tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride
PubChem CID	160729078
Molecular Formula	C50H56ClF2N11O6S2
Molecular Weight	1044.65 g/mol
Exact Mass	1043.35
IUPAC Name	tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride
SMILES	CC(C)(C)OC(=O)CC1CCn2c(nc(-c3ccccc3)c2F)C1.Cl.Cn1ncc(-c2cscn2)c1C(=O)CO.Cn1ncc(-c2nccs2)c1C(=O)CO.NC1CCn2c(nc(-c3ccccc3)c2F)C1
InChI	InChI=1S/C19H23FN2O2.C13H14FN3.2C9H9N3O2S.ClH/c1-19(2,3)24-16(23)12-13-9-10-22-15(11-13)21-17(18(22)20)14-7-5-4-6-8-14;14-13-12(9-4-2-1-3-5-9)16-11-8-10(15)6-7-17(11)13;1-12-9(8(14)3-13)6(2-11-12)7-4-15-5-10-7;1-12-8(7(14)5-13)6(4-11-12)9-10-2-3-15-9;/h4-8,13H,9-12H2,1-3H3;1-5,10H,6-8,15H2;2,4-5,13H,3H2,1H3;2-4,13H,5H2,1H3;1H
InChIKey	CDGYRMJBEBTKCL-UHFFFAOYSA-N
XLogP	7.81
TPSA	223.98 Å²
H-Bond Donors	3
H-Bond Acceptors	19
Rotatable Bonds	10
Heavy Atoms	72
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.65
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Analyze tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

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

The IUPAC name of tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride (CID 160729078) is tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride.

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

The canonical SMILES for tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride is CC(C)(C)OC(=O)CC1CCn2c(nc(-c3ccccc3)c2F)C1.Cl.Cn1ncc(-c2cscn2)c1C(=O)CO.Cn1ncc(-c2nccs2)c1C(=O)CO.NC1CCn2c(nc(-c3ccccc3)c2F)C1.

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

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

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

Where does this data come from?

All data for tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;hydrochloride is sourced from PubChem (CID 160729078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).