(2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol

C18H13ClN6OS — CID 134817242

IUPAC(2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
SMILESC[C@](O)(C#Cc1ccc2ncc(-c3nc(N)ncc3Cl)n2c1)c1nccs1
InChIInChI=1S/C18H13ClN6OS/c1-18(26,16-21-6-7-27-16)5-4-11-2-3-14-22-9-13(25(14)10-11)15-12(19)8-23-17(20)24-15/h2-3,6-10,26H,1H3,(H2,20,23,24)/t18-/m0/s1
InChIKeyJWTLNYGTANMSGG-SFHVURJKSA-N
MW396.86 g/mol
LogP2.74
Rot. Bonds2

About (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol

(2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol (PubChem CID 134817242) has the molecular formula C18H13ClN6OS and a molecular weight of 396.86 g/mol. Its IUPAC name is (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
PubChem CID134817242
Molecular FormulaC18H13ClN6OS
Molecular Weight396.86 g/mol
Exact Mass396.06
IUPAC Name(2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
SMILESC[C@](O)(C#Cc1ccc2ncc(-c3nc(N)ncc3Cl)n2c1)c1nccs1
InChIInChI=1S/C18H13ClN6OS/c1-18(26,16-21-6-7-27-16)5-4-11-2-3-14-22-9-13(25(14)10-11)15-12(19)8-23-17(20)24-15/h2-3,6-10,26H,1H3,(H2,20,23,24)/t18-/m0/s1
InChIKeyJWTLNYGTANMSGG-SFHVURJKSA-N
XLogP2.74
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol 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

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(3-imidazo[1,2-a]pyridin-2-ylpropoxy)-5-methylpyrimidin-4-amine
CID 122192117
(2R)-4-[3-(4-amino-1,3,5-triazin-2-yl)-2-methylbenzimidazol-5-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 60164742
4-[4-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 141758888
4-[3-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorophenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 141758892
4-[5-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,4-difluorophenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 141758907
4-[3-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)phenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 141758929
4-[3-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methylphenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 141758931
4-[5-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-fluorophenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 141758938
4-[4-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 141758949
(2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
CID 57525823
N-[9-(2-chlorophenyl)-8-methylpurin-6-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 44529819
1-[4-(2-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]-3-(1,3-thiazol-2-yl)pent-1-yn-3-ol
CID 141758879

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol?
The IUPAC name of (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol (CID 134817242) is (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol.
What is the SMILES notation for (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol?
The canonical SMILES for (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol is C[C@](O)(C#Cc1ccc2ncc(-c3nc(N)ncc3Cl)n2c1)c1nccs1.
What is the InChIKey of (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol?
The InChIKey is JWTLNYGTANMSGG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H13ClN6OS/c1-18(26,16-21-6-7-27-16)5-4-11-2-3-14-22-9-13(25(14)10-11)15-12(19)8-23-17(20)24-15/h2-3,6-10,26H,1H3,(H2,20,23,24)/t18-/m0/s1.
What are the key properties of (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol?
(2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol has a molecular weight of 396.86 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-(2-amino-5-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol is sourced from PubChem (CID 134817242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).