3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate

C44H53BrCl2N10O4 — CID 157272726

IUPAC3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C1.Cc1cc2ncc(-c3cccc(Br)n3)n2cc1Cl.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl
InChIInChI=1S/C22H26ClN5O2.C13H9BrClN3.C9H18N2O2/c1-14-10-20-24-11-18(28(20)13-16(14)23)17-6-5-7-19(26-17)25-15-8-9-27(12-15)21(29)30-22(2,3)4;1-8-5-13-16-6-11(18(13)7-9(8)15)10-3-2-4-12(14)17-10;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,25,26);2-7H,1H3;7H,4-6,10H2,1-3H3
InChIKeyAYSOXTJWEAOMNA-UHFFFAOYSA-N
MW936.78 g/mol
LogP9.85
Rot. Bonds4

About 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate

3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate (PubChem CID 157272726) has the molecular formula C44H53BrCl2N10O4 and a molecular weight of 936.78 g/mol. Its IUPAC name is 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
PubChem CID157272726
Molecular FormulaC44H53BrCl2N10O4
Molecular Weight936.78 g/mol
Exact Mass934.28
IUPAC Name3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C1.Cc1cc2ncc(-c3cccc(Br)n3)n2cc1Cl.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl
InChIInChI=1S/C22H26ClN5O2.C13H9BrClN3.C9H18N2O2/c1-14-10-20-24-11-18(28(20)13-16(14)23)17-6-5-7-19(26-17)25-15-8-9-27(12-15)21(29)30-22(2,3)4;1-8-5-13-16-6-11(18(13)7-9(8)15)10-3-2-4-12(14)17-10;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,25,26);2-7H,1H3;7H,4-6,10H2,1-3H3
InChIKeyAYSOXTJWEAOMNA-UHFFFAOYSA-N
XLogP9.85
TPSA157.51 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.78
LogP ≤ 59.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[2-chloro-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;4-methylaniline
CID 158429729
6-bromo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-methoxy-1-pentan-3-ylimidazo[4,5-b]pyridine;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethenyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 161249329
tert-butyl 4-{8-chloro-6-[1-(9H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl}piperazine-1-carboxylate
CID 54588068
5-[7-(2-Chloro-pyridin-4-yl)-imidazo[1,2-c]pyrimidin-5-yl]-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
CID 57832680
tert-Butyl 4-(6-((8-chloro-9-cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]-pyrimidin-2-yl)amino)-3-pyridinyl)-1-piperazinecarboxylate
CID 58299799
(3-(3-Chloro-phenyl)-3-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-ylamino}-propyl)-carbamic acid tert-butyl ester
CID 68227250
(2-(3-Chloro-phenyl)-2-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-ylamino}-ethyl)-carbamic acid tert-butyl ester
CID 68227319
Tert-butyl 4-[5-[1-[[4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-5-cyanopyrimidin-2-yl]amino]ethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 68684756
5-[7-(2-Chloro-pyridin-4-yl)-imidazo[1,2-c]pyrimidin-5-yl]-(1S,4S)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
CID 86600291
tert-butyl N-(5-bromo-6-fluoro-2-pyridinyl)-N-[(5-fluoro-3-pyridinyl)methyl]carbamate;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-chloro-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-chloro-3-[[2-fluoro-6-[(5-fluoro-3-pyridinyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[2-fluoro-6-[2-(5-fluoro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 123805452
tert-butyl 2-[8-chloro-6-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,5-a]pyridin-5-yl]piperazine-1-carboxylate
CID 140229484
tert-butyl N-[2-(3-chlorophenyl)-2-[[4-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-yl]amino]ethyl]carbamate;ethane
CID 144439715

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate (CID 157272726) is 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)C1.Cc1cc2ncc(-c3cccc(Br)n3)n2cc1Cl.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl.
What is the InChIKey of 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is AYSOXTJWEAOMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2.C13H9BrClN3.C9H18N2O2/c1-14-10-20-24-11-18(28(20)13-16(14)23)17-6-5-7-19(26-17)25-15-8-9-27(12-15)21(29)30-22(2,3)4;1-8-5-13-16-6-11(18(13)7-9(8)15)10-3-2-4-12(14)17-10;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,25,26);2-7H,1H3;7H,4-6,10H2,1-3H3.
What are the key properties of 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 936.78 g/mol, XLogP of 9.85, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-pyridinyl)-6-chloro-7-methylimidazo[1,2-a]pyridine;tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 157272726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).