N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide

C31H30FN7O2 — CID 171796465

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796465) has the molecular formula C31H30FN7O2 and a molecular weight of 551.63 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171796465
• Molecular Formula: C31H30FN7O2
• Molecular Weight: 551.63 g/mol
• Exact Mass: 551.24
• IUPAC Name: N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc2cc(Nc3ccc(N4CCCCC4)cc3)ccn12
• InChI: InChI=1S/C31H30FN7O2/c1-19-5-6-20(29-36-31(41-37-29)24-17-25(24)32)15-26(19)35-30(40)27-18-33-28-16-22(11-14-39(27)28)34-21-7-9-23(10-8-21)38-12-3-2-4-13-38/h5-11,14-16,18,24-25,34H,2-4,12-13,17H2,1H3,(H,35,40)/t24-,25-/m0/s1
• InChIKey: UGPNBSSSIZFBFQ-DQEYMECFSA-N
• XLogP: 6.50
• TPSA: 100.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.63
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide (CID 171796465) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc2cc(Nc3ccc(N4CCCCC4)cc3)ccn12.

What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is UGPNBSSSIZFBFQ-DQEYMECFSA-N. The full InChI is InChI=1S/C31H30FN7O2/c1-19-5-6-20(29-36-31(41-37-29)24-17-25(24)32)15-26(19)35-30(40)27-18-33-28-16-22(11-14-39(27)28)34-21-7-9-23(10-8-21)38-12-3-2-4-13-38/h5-11,14-16,18,24-25,34H,2-4,12-13,17H2,1H3,(H,35,40)/t24-,25-/m0/s1.

What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 551.63 g/mol, XLogP of 6.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).