N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide

C27H34F3N5O2 — CID 170259786

About N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide

N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 170259786) has the molecular formula C27H34F3N5O2 and a molecular weight of 517.60 g/mol. Its IUPAC name is N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

• Compound Name: N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide
• PubChem CID: 170259786
• Molecular Formula: C27H34F3N5O2
• Molecular Weight: 517.60 g/mol
• Exact Mass: 517.27
• IUPAC Name: N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide
• SMILES: COc1cc(-c2cnc3cc(N4CCC(CN(C)C)C4)ccn23)cc(CCN(C=O)CC(F)(F)F)c1C
• InChI: InChI=1S/C27H34F3N5O2/c1-19-21(6-8-33(18-36)17-27(28,29)30)11-22(12-25(19)37-4)24-14-31-26-13-23(7-10-35(24)26)34-9-5-20(16-34)15-32(2)3/h7,10-14,18,20H,5-6,8-9,15-17H2,1-4H3
• InChIKey: PGRWNTPAEWXRKT-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 53.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.60
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide?

The IUPAC name of N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide (CID 170259786) is N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide.

What is the SMILES notation for N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide?

The canonical SMILES for N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide is COc1cc(-c2cnc3cc(N4CCC(CN(C)C)C4)ccn23)cc(CCN(C=O)CC(F)(F)F)c1C.

What is the InChIKey of N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide?

The InChIKey is PGRWNTPAEWXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N5O2/c1-19-21(6-8-33(18-36)17-27(28,29)30)11-22(12-25(19)37-4)24-14-31-26-13-23(7-10-35(24)26)34-9-5-20(16-34)15-32(2)3/h7,10-14,18,20H,5-6,8-9,15-17H2,1-4H3.

What are the key properties of N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide?

N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 517.60 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-3-methoxy-2-methylphenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 170259786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).