N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide

C26H24FN5O2S — CID 46344275

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCCOc1ccc2nc(NC(=O)CCCc3nc4cccnc4n3Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C26H24FN5O2S/c1-2-34-19-12-13-20-22(15-19)35-26(30-20)31-24(33)7-3-6-23-29-21-5-4-14-28-25(21)32(23)16-17-8-10-18(27)11-9-17/h4-5,8-15H,2-3,6-7,16H2,1H3,(H,30,31,33)
InChIKeyXRMCCLVSEKDVEZ-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.59
Rot. Bonds9

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 46344275) has the molecular formula C26H24FN5O2S and a molecular weight of 489.58 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID46344275
Molecular FormulaC26H24FN5O2S
Molecular Weight489.58 g/mol
Exact Mass489.16
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCCOc1ccc2nc(NC(=O)CCCc3nc4cccnc4n3Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C26H24FN5O2S/c1-2-34-19-12-13-20-22(15-19)35-26(30-20)31-24(33)7-3-6-23-29-21-5-4-14-28-25(21)32(23)16-17-8-10-18(27)11-9-17/h4-5,8-15H,2-3,6-7,16H2,1H3,(H,30,31,33)
InChIKeyXRMCCLVSEKDVEZ-UHFFFAOYSA-N
XLogP5.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (CID 46344275) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is CCOc1ccc2nc(NC(=O)CCCc3nc4cccnc4n3Cc3ccc(F)cc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is XRMCCLVSEKDVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2S/c1-2-34-19-12-13-20-22(15-19)35-26(30-20)31-24(33)7-3-6-23-29-21-5-4-14-28-25(21)32(23)16-17-8-10-18(27)11-9-17/h4-5,8-15H,2-3,6-7,16H2,1H3,(H,30,31,33).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 489.58 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 46344275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).