6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C17H13BrF3N3O2 — CID 134816766

IUPAC6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13BrF3N3O2/c1-10-15(24-9-12(18)4-7-14(24)23-10)16(25)22-8-11-2-5-13(6-3-11)26-17(19,20)21/h2-7,9H,8H2,1H3,(H,22,25)
InChIKeyPOPLAOXBQFRMKH-UHFFFAOYSA-N
MW428.21 g/mol
LogP4.23
Rot. Bonds4

About 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134816766) has the molecular formula C17H13BrF3N3O2 and a molecular weight of 428.21 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID134816766
Molecular FormulaC17H13BrF3N3O2
Molecular Weight428.21 g/mol
Exact Mass427.01
IUPAC Name6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13BrF3N3O2/c1-10-15(24-9-12(18)4-7-14(24)23-10)16(25)22-8-11-2-5-13(6-3-11)26-17(19,20)21/h2-7,9H,8H2,1H3,(H,22,25)
InChIKeyPOPLAOXBQFRMKH-UHFFFAOYSA-N
XLogP4.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469785
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134817161
6-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201979
CID 123986024
CID 123986024
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 161026096
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009979
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165414199
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
2,6-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274322
2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 144874262

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134816766) is 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is POPLAOXBQFRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N3O2/c1-10-15(24-9-12(18)4-7-14(24)23-10)16(25)22-8-11-2-5-13(6-3-11)26-17(19,20)21/h2-7,9H,8H2,1H3,(H,22,25).
What are the key properties of 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 428.21 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134816766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).