3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C32H30F3N7O — CID 10281865

About 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 10281865) has the molecular formula C32H30F3N7O and a molecular weight of 585.63 g/mol. Its IUPAC name is 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 10281865
• Molecular Formula: C32H30F3N7O
• Molecular Weight: 585.63 g/mol
• Exact Mass: 585.25
• IUPAC Name: 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
• SMILES: C[C@@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(C(=O)NC4CCNCC4)cccn23)n1)c1ccccc1
• InChI: InChI=1S/C32H30F3N7O/c1-20(21-7-3-2-4-8-21)38-31-37-17-14-26(40-31)28-27(22-9-5-10-23(19-22)32(33,34)35)41-29-25(11-6-18-42(28)29)30(43)39-24-12-15-36-16-13-24/h2-11,14,17-20,24,36H,12-13,15-16H2,1H3,(H,39,43)(H,37,38,40)/t20-/m1/s1
• InChIKey: RIAGJSMBRRPJII-HXUWFJFHSA-N
• XLogP: 6.13
• TPSA: 96.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.63
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 10281865) is 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is C[C@@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(C(=O)NC4CCNCC4)cccn23)n1)c1ccccc1.

What is the InChIKey of 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is RIAGJSMBRRPJII-HXUWFJFHSA-N. The full InChI is InChI=1S/C32H30F3N7O/c1-20(21-7-3-2-4-8-21)38-31-37-17-14-26(40-31)28-27(22-9-5-10-23(19-22)32(33,34)35)41-29-25(11-6-18-42(28)29)30(43)39-24-12-15-36-16-13-24/h2-11,14,17-20,24,36H,12-13,15-16H2,1H3,(H,39,43)(H,37,38,40)/t20-/m1/s1.

What are the key properties of 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?

3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 585.63 g/mol, XLogP of 6.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 10281865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).