7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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

C36H29BrF3IN14O — CID 158845819

IUPAC7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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
SMILESBrc1ccn2ccnc2c1.Cc1ncnn1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.Cc1ncnn1-c1ccn2c(I)cnc2c1
InChIInChI=1S/C19H16F3N7O.C10H8IN5.C7H5BrN2/c1-12-25-11-26-29(12)15-5-6-28-16(9-23-17(28)8-15)13-3-2-4-14(7-13)27-18(30)24-10-19(20,21)22;1-7-13-6-14-16(7)8-2-3-15-9(11)5-12-10(15)4-8;8-6-1-3-10-4-2-9-7(10)5-6/h2-9,11H,10H2,1H3,(H2,24,27,30);2-6H,1H3;1-5H
InChIKeyIYUUYZXACZKXGZ-UHFFFAOYSA-N
MW937.53 g/mol
LogP7.50
Rot. Bonds5

About 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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

7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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 (PubChem CID 158845819) has the molecular formula C36H29BrF3IN14O and a molecular weight of 937.53 g/mol. Its IUPAC name is 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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.

Molecular Properties

Compound Name7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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
PubChem CID158845819
Molecular FormulaC36H29BrF3IN14O
Molecular Weight937.53 g/mol
Exact Mass936.08
IUPAC Name7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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
SMILESBrc1ccn2ccnc2c1.Cc1ncnn1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.Cc1ncnn1-c1ccn2c(I)cnc2c1
InChIInChI=1S/C19H16F3N7O.C10H8IN5.C7H5BrN2/c1-12-25-11-26-29(12)15-5-6-28-16(9-23-17(28)8-15)13-3-2-4-14(7-13)27-18(30)24-10-19(20,21)22;1-7-13-6-14-16(7)8-2-3-15-9(11)5-12-10(15)4-8;8-6-1-3-10-4-2-9-7(10)5-6/h2-9,11H,10H2,1H3,(H2,24,27,30);2-6H,1H3;1-5H
InChIKeyIYUUYZXACZKXGZ-UHFFFAOYSA-N
XLogP7.50
TPSA154.45 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.53
LogP ≤ 57.50
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;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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 with MolForge

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Related Compounds

1-[3-[7-(1-Piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44546693
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-[5-[7-(1-Piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 44547900
1-[3-[7-(1-Piperidin-3-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68161895
1-[3-[7-(1-Pyrrolidin-3-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68162376
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
1-{3-[7-(5-Methyl-[1,2,4]triazin-3-yl)-imidazo[1,2-a]pyridin-3-yl]-phenyl}-3-(2,2,2-trifluoro-ethyl)-urea
CID 44547899
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

Frequently Asked Questions

What is the IUPAC name of 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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?
The IUPAC name of 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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 158845819) is 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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.
What is the SMILES notation for 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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?
The canonical SMILES for 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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 is Brc1ccn2ccnc2c1.Cc1ncnn1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.Cc1ncnn1-c1ccn2c(I)cnc2c1.
What is the InChIKey of 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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?
The InChIKey is IYUUYZXACZKXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O.C10H8IN5.C7H5BrN2/c1-12-25-11-26-29(12)15-5-6-28-16(9-23-17(28)8-15)13-3-2-4-14(7-13)27-18(30)24-10-19(20,21)22;1-7-13-6-14-16(7)8-2-3-15-9(11)5-12-10(15)4-8;8-6-1-3-10-4-2-9-7(10)5-6/h2-9,11H,10H2,1H3,(H2,24,27,30);2-6H,1H3;1-5H.
What are the key properties of 7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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?
7-bromoimidazo[1,2-a]pyridine;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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 has a molecular weight of 937.53 g/mol, XLogP of 7.50, 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;3-iodo-7-(5-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine;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 is sourced from PubChem (CID 158845819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).