N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide

C25H30F3N5O2 — CID 170259599

IUPACN-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide
SMILESCOc1cc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc(CCN(C=O)CC(F)(F)F)c1C
InChIInChI=1S/C25H30F3N5O2/c1-18-19(4-6-31(17-34)16-25(26,27)28)12-20(13-23(18)35-3)22-15-29-24-14-21(5-7-33(22)24)32-10-8-30(2)9-11-32/h5,7,12-15,17H,4,6,8-11,16H2,1-3H3
InChIKeyFGJDGVHQIXKPMV-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.63
Rot. Bonds8

About N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide

N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 170259599) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide
PubChem CID170259599
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC NameN-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide
SMILESCOc1cc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc(CCN(C=O)CC(F)(F)F)c1C
InChIInChI=1S/C25H30F3N5O2/c1-18-19(4-6-31(17-34)16-25(26,27)28)12-20(13-23(18)35-3)22-15-29-24-14-21(5-7-33(22)24)32-10-8-30(2)9-11-32/h5,7,12-15,17H,4,6,8-11,16H2,1-3H3
InChIKeyFGJDGVHQIXKPMV-UHFFFAOYSA-N
XLogP3.63
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 170259192
8-methoxy-6-[7-[3-(methoxymethyl)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 170259185
4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 162371943
8-methoxy-6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 151186168
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
CID 167657219
CID 167657219
8-methoxy-6-[7-[[(2S)-4-methylmorpholin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 146273286
7-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 56973477
7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
CID 174363759
tert-butyl 5-[3-(3,5-dimethoxy-4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 174362621
2-(2,2-difluoroethyl)-6-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-8-methoxy-3,4-dihydroisoquinolin-1-one
CID 146273304

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide (CID 170259599) is N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide is COc1cc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc(CCN(C=O)CC(F)(F)F)c1C.
What is the InChIKey of N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is FGJDGVHQIXKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c1-18-19(4-6-31(17-34)16-25(26,27)28)12-20(13-23(18)35-3)22-15-29-24-14-21(5-7-33(22)24)32-10-8-30(2)9-11-32/h5,7,12-15,17H,4,6,8-11,16H2,1-3H3.
What are the key properties of N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide?
N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 489.54 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methoxy-2-methyl-5-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 170259599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).