(3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C23H24ClF3N6O3 — CID 175681783

About (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 175681783) has the molecular formula C23H24ClF3N6O3 and a molecular weight of 524.93 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 175681783
• Molecular Formula: C23H24ClF3N6O3
• Molecular Weight: 524.93 g/mol
• Exact Mass: 524.16
• IUPAC Name: (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
• SMILES: CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)[C@H]3CNC(=O)C3)C(F)(F)F)cc2)cnn2cc(Cl)nc12
• InChI: InChI=1S/C23H24ClF3N6O3/c1-12(36-3)19-16(10-29-33-11-17(24)31-21(19)33)30-15-6-4-13(5-7-15)20(23(25,26)27)32(2)22(35)14-8-18(34)28-9-14/h4-7,10-12,14,20,30H,8-9H2,1-3H3,(H,28,34)/t12-,14+,20-/m0/s1
• InChIKey: HHCGDCWSRIEISU-HKMRUAMVSA-N
• XLogP: 4.03
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.93
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 175681783) is (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)[C@H]3CNC(=O)C3)C(F)(F)F)cc2)cnn2cc(Cl)nc12.

What is the InChIKey of (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?

The InChIKey is HHCGDCWSRIEISU-HKMRUAMVSA-N. The full InChI is InChI=1S/C23H24ClF3N6O3/c1-12(36-3)19-16(10-29-33-11-17(24)31-21(19)33)30-15-6-4-13(5-7-15)20(23(25,26)27)32(2)22(35)14-8-18(34)28-9-14/h4-7,10-12,14,20,30H,8-9H2,1-3H3,(H,28,34)/t12-,14+,20-/m0/s1.

What are the key properties of (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?

(3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 524.93 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(1S)-1-[4-[[2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazin-7-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 175681783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).