N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

C26H22N6O3S — CID 25151032

IUPACN-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4c(OC5COC5)cccn34)cs2)cc1
InChIInChI=1S/C26H22N6O3S/c27-19-4-1-2-5-20(19)30-25(33)16-7-9-17(10-8-16)29-26-31-21(15-36-26)22-12-28-24-23(6-3-11-32(22)24)35-18-13-34-14-18/h1-12,15,18H,13-14,27H2,(H,29,31)(H,30,33)
InChIKeyFUDOATDGHVXVSM-UHFFFAOYSA-N
MW498.57 g/mol
LogP4.81
Rot. Bonds7

About N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 25151032) has the molecular formula C26H22N6O3S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
PubChem CID25151032
Molecular FormulaC26H22N6O3S
Molecular Weight498.57 g/mol
Exact Mass498.15
IUPAC NameN-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4c(OC5COC5)cccn34)cs2)cc1
InChIInChI=1S/C26H22N6O3S/c27-19-4-1-2-5-20(19)30-25(33)16-7-9-17(10-8-16)29-26-31-21(15-36-26)22-12-28-24-23(6-3-11-32(22)24)35-18-13-34-14-18/h1-12,15,18H,13-14,27H2,(H,29,31)(H,30,33)
InChIKeyFUDOATDGHVXVSM-UHFFFAOYSA-N
XLogP4.81
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 25151032) is N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4c(OC5COC5)cccn34)cs2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is FUDOATDGHVXVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3S/c27-19-4-1-2-5-20(19)30-25(33)16-7-9-17(10-8-16)29-26-31-21(15-36-26)22-12-28-24-23(6-3-11-32(22)24)35-18-13-34-14-18/h1-12,15,18H,13-14,27H2,(H,29,31)(H,30,33).
What are the key properties of N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 498.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[4-[8-(oxetan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 25151032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).