N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H20FN5O2 — CID 86763813

IUPACN-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc([C@H](C)Nc2nc3cc(F)ccc3o2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1
InChIKeyYLTBELFOTTYXRF-HNNXBMFYSA-N
MW429.46 g/mol
LogP5.35
Rot. Bonds5

About N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86763813) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86763813
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC NameN-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc([C@H](C)Nc2nc3cc(F)ccc3o2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1
InChIKeyYLTBELFOTTYXRF-HNNXBMFYSA-N
XLogP5.35
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide 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-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 86763813) is N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc([C@H](C)Nc2nc3cc(F)ccc3o2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YLTBELFOTTYXRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1.
What are the key properties of N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86763813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).