N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H23ClFN5O4 — CID 171795304

About N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171795304) has the molecular formula C24H23ClFN5O4 and a molecular weight of 499.93 g/mol. Its IUPAC name is N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171795304
• Molecular Formula: C24H23ClFN5O4
• Molecular Weight: 499.93 g/mol
• Exact Mass: 499.14
• IUPAC Name: N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC(C)(O)COCc1ccn2c(C(=O)Nc3cc(-c4nc([C@H]5C[C@@H]5F)no4)ccc3Cl)cnc2c1
• InChI: InChI=1S/C24H23ClFN5O4/c1-24(2,33)12-34-11-13-5-6-31-19(10-27-20(31)7-13)22(32)28-18-8-14(3-4-16(18)25)23-29-21(30-35-23)15-9-17(15)26/h3-8,10,15,17,33H,9,11-12H2,1-2H3,(H,28,32)/t15-,17-/m0/s1
• InChIKey: YGCCTOQKINNJLI-RDJZCZTQSA-N
• XLogP: 4.40
• TPSA: 114.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.93
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 171795304) is N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)(O)COCc1ccn2c(C(=O)Nc3cc(-c4nc([C@H]5C[C@@H]5F)no4)ccc3Cl)cnc2c1.

What is the InChIKey of N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is YGCCTOQKINNJLI-RDJZCZTQSA-N. The full InChI is InChI=1S/C24H23ClFN5O4/c1-24(2,33)12-34-11-13-5-6-31-19(10-27-20(31)7-13)22(32)28-18-8-14(3-4-16(18)25)23-29-21(30-35-23)15-9-17(15)26/h3-8,10,15,17,33H,9,11-12H2,1-2H3,(H,28,32)/t15-,17-/m0/s1.

What are the key properties of N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 499.93 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]phenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).