8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C24H27FN6O3S — CID 25094955

IUPAC8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCc1nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cc(F)cn2c1C(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C24H27FN6O3S/c1-12(2)6-16(11-32)29-23(34)20-13(3)28-21-17(8-15(25)10-31(20)21)22(33)27-9-14-4-5-18-19(7-14)35-24(26)30-18/h4-5,7-8,10,12,16,32H,6,9,11H2,1-3H3,(H2,26,30)(H,27,33)(H,29,34)/t16-/m1/s1
InChIKeyULRAWRQEDFXARW-MRXNPFEDSA-N
MW498.58 g/mol
LogP3.04
Rot. Bonds8

About 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 25094955) has the molecular formula C24H27FN6O3S and a molecular weight of 498.58 g/mol. Its IUPAC name is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID25094955
Molecular FormulaC24H27FN6O3S
Molecular Weight498.58 g/mol
Exact Mass498.18
IUPAC Name8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCc1nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cc(F)cn2c1C(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C24H27FN6O3S/c1-12(2)6-16(11-32)29-23(34)20-13(3)28-21-17(8-15(25)10-31(20)21)22(33)27-9-14-4-5-18-19(7-14)35-24(26)30-18/h4-5,7-8,10,12,16,32H,6,9,11H2,1-3H3,(H2,26,30)(H,27,33)(H,29,34)/t16-/m1/s1
InChIKeyULRAWRQEDFXARW-MRXNPFEDSA-N
XLogP3.04
TPSA134.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide 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

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
US20230303553, Example 23
CID 169073861
US20230303553, Example 29
CID 169073870
US20230303553, Example 18
CID 169073902
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018311
N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948061
[3-[[[6-(1,3-benzothiazol-6-yl)-2-methylpyrimidin-4-yl]amino]methyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 70977678
US11248001, Example 242
CID 154653447
[6-(2-Amino-1,3-benzothiazol-6-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 88979790
US11248001, Example 312
CID 154653602
4-[[(1S)-1-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropyl]amino]-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 171389912

Frequently Asked Questions

What is the IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 25094955) is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide is Cc1nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cc(F)cn2c1C(=O)N[C@@H](CO)CC(C)C.
What is the InChIKey of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is ULRAWRQEDFXARW-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27FN6O3S/c1-12(2)6-16(11-32)29-23(34)20-13(3)28-21-17(8-15(25)10-31(20)21)22(33)27-9-14-4-5-18-19(7-14)35-24(26)30-18/h4-5,7-8,10,12,16,32H,6,9,11H2,1-3H3,(H2,26,30)(H,27,33)(H,29,34)/t16-/m1/s1.
What are the key properties of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.04, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-fluoro-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-methylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 25094955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).