7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine

C38H33BrF3IN14O — CID 159146910

IUPAC7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine
SMILESBrc1ccn2ccnc2c1.Cc1nc(C)n(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1.Cc1nc(C)n(-c2ccn3c(I)cnc3c2)n1
InChIInChI=1S/C20H18F3N7O.C11H10IN5.C7H5BrN2/c1-12-26-13(2)30(28-12)16-6-7-29-17(10-24-18(29)9-16)14-4-3-5-15(8-14)27-19(31)25-11-20(21,22)23;1-7-14-8(2)17(15-7)9-3-4-16-10(12)6-13-11(16)5-9;8-6-1-3-10-4-2-9-7(10)5-6/h3-10H,11H2,1-2H3,(H2,25,27,31);3-6H,1-2H3;1-5H
InChIKeyKIUIMVZWYCHECQ-UHFFFAOYSA-N
MW965.58 g/mol
LogP8.12
Rot. Bonds5

About 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine

7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine (PubChem CID 159146910) has the molecular formula C38H33BrF3IN14O and a molecular weight of 965.58 g/mol. Its IUPAC name is 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine
PubChem CID159146910
Molecular FormulaC38H33BrF3IN14O
Molecular Weight965.58 g/mol
Exact Mass964.11
IUPAC Name7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine
SMILESBrc1ccn2ccnc2c1.Cc1nc(C)n(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1.Cc1nc(C)n(-c2ccn3c(I)cnc3c2)n1
InChIInChI=1S/C20H18F3N7O.C11H10IN5.C7H5BrN2/c1-12-26-13(2)30(28-12)16-6-7-29-17(10-24-18(29)9-16)14-4-3-5-15(8-14)27-19(31)25-11-20(21,22)23;1-7-14-8(2)17(15-7)9-3-4-16-10(12)6-13-11(16)5-9;8-6-1-3-10-4-2-9-7(10)5-6/h3-10H,11H2,1-2H3,(H2,25,27,31);3-6H,1-2H3;1-5H
InChIKeyKIUIMVZWYCHECQ-UHFFFAOYSA-N
XLogP8.12
TPSA154.45 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.58
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine with MolForge

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Related Compounds

1-[3-[7-[6-(4-Aminopiperidin-1-yl)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547159
1-[3-[7-(6-Piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68162511
1-[3-[7-[1-(1-Methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68163264
1-[3-[7-[6-[4-(Dimethylamino)piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68163413
1-[3-[7-[6-[(1-Methylpiperidin-4-yl)amino]pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68170085
N-[3-(7-{6-[4-(pyrrolidin-1-ylcarbonyl)piperazin-1-yl]pyridin-3-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea
CID 57384629
N-Pyridin-3-yl-4-(4-{3-[3-({[(2,2,2-trifluoroethyl)amino]carbonyl}amino)phenyl]imidazo[1,2-b]pyridazin-7-yl}-1H-pyrazol-1-yl)piperidine-1-carboxamide
CID 57387892
N-Benzyl-4-(4-{3-[3-({[(2,2,2-trifluoroethyl)amino]carbonyl}amino)phenyl]imidazo[1,2-b]pyridazin-7-yl}-1H-pyrazol-1-yl)piperidine-1-carboxamide
CID 57387893
N-[3-(7-{1-[1-(Pyrrolidin-1-ylcarbonyl)piperidin-4-yl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea
CID 67980012
1-[3-[7-[6-(4-Methylpiperazin-1-yl)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68161666
1-[3-[7-(5-Methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320823
1-[3-[7-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320964

Frequently Asked Questions

What is the IUPAC name of 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine?
The IUPAC name of 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine (CID 159146910) is 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine is Brc1ccn2ccnc2c1.Cc1nc(C)n(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1.Cc1nc(C)n(-c2ccn3c(I)cnc3c2)n1.
What is the InChIKey of 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine?
The InChIKey is KIUIMVZWYCHECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O.C11H10IN5.C7H5BrN2/c1-12-26-13(2)30(28-12)16-6-7-29-17(10-24-18(29)9-16)14-4-3-5-15(8-14)27-19(31)25-11-20(21,22)23;1-7-14-8(2)17(15-7)9-3-4-16-10(12)6-13-11(16)5-9;8-6-1-3-10-4-2-9-7(10)5-6/h3-10H,11H2,1-2H3,(H2,25,27,31);3-6H,1-2H3;1-5H.
What are the key properties of 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine?
7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine has a molecular weight of 965.58 g/mol, XLogP of 8.12, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoimidazo[1,2-a]pyridine;1-[3-[7-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 159146910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).