N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide

C25H23F4N5O — CID 163229204

About N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide

N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 163229204) has the molecular formula C25H23F4N5O and a molecular weight of 485.49 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 163229204
• Molecular Formula: C25H23F4N5O
• Molecular Weight: 485.49 g/mol
• Exact Mass: 485.18
• IUPAC Name: N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cc1cnc2ccc(C(=O)N[C@@H]3CCC[C@H](Nc4cc(C(F)(F)F)nc5ccc(F)cc45)C3)cn12
• InChI: InChI=1S/C25H23F4N5O/c1-14-12-30-23-8-5-15(13-34(14)23)24(35)32-18-4-2-3-17(10-18)31-21-11-22(25(27,28)29)33-20-7-6-16(26)9-19(20)21/h5-9,11-13,17-18H,2-4,10H2,1H3,(H,31,33)(H,32,35)/t17-,18+/m0/s1
• InChIKey: RSYZPHFYKKNWDN-ZWKOTPCHSA-N
• XLogP: 5.50
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.49
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 163229204) is N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide is Cc1cnc2ccc(C(=O)N[C@@H]3CCC[C@H](Nc4cc(C(F)(F)F)nc5ccc(F)cc45)C3)cn12.

What is the InChIKey of N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is RSYZPHFYKKNWDN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C25H23F4N5O/c1-14-12-30-23-8-5-15(13-34(14)23)24(35)32-18-4-2-3-17(10-18)31-21-11-22(25(27,28)29)33-20-7-6-16(26)9-19(20)21/h5-9,11-13,17-18H,2-4,10H2,1H3,(H,31,33)(H,32,35)/t17-,18+/m0/s1.

What are the key properties of N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide?

N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 163229204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).