3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine

C62H64Br2ClN15O6S3 — CID 158660530

About 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine

3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 158660530) has the molecular formula C62H64Br2ClN15O6S3 and a molecular weight of 1406.75 g/mol. Its IUPAC name is 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine
• PubChem CID: 158660530
• Molecular Formula: C62H64Br2ClN15O6S3
• Molecular Weight: 1406.75 g/mol
• Exact Mass: 1403.24
• IUPAC Name: 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine
• SMILES: COc1ccc(Cl)c(Sc2nc3c(N)nccc3n2CCC2CCN(C(=O)CO)C2)c1.Nc1nccc2c1nc(Sc1cc3occc3cc1Br)n2CCC1CCN(C=O)C1.Nc1nccc2c1nc(Sc1cc3occc3cc1Br)n2CCC1CCNC1
• InChI: InChI=1S/C21H20BrN5O2S.C21H24ClN5O3S.C20H20BrN5OS/c22-15-9-14-4-8-29-17(14)10-18(15)30-21-25-19-16(1-5-24-20(19)23)27(21)7-3-13-2-6-26(11-13)12-28;1-30-14-2-3-15(22)17(10-14)31-21-25-19-16(4-7-24-20(19)23)27(21)9-6-13-5-8-26(11-13)18(29)12-28;21-14-9-13-4-8-27-16(13)10-17(14)28-20-25-18-15(2-6-24-19(18)22)26(20)7-3-12-1-5-23-11-12/h1,4-5,8-10,12-13H,2-3,6-7,11H2,(H2,23,24);2-4,7,10,13,28H,5-6,8-9,11-12H2,1H3,(H2,23,24);2,4,6,8-10,12,23H,1,3,5,7,11H2,(H2,22,24)
• InChIKey: ICRWJIUPESJQCZ-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 278.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.75
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine?

The IUPAC name of 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine (CID 158660530) is 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine.

What is the SMILES notation for 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine?

The canonical SMILES for 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine is COc1ccc(Cl)c(Sc2nc3c(N)nccc3n2CCC2CCN(C(=O)CO)C2)c1.Nc1nccc2c1nc(Sc1cc3occc3cc1Br)n2CCC1CCN(C=O)C1.Nc1nccc2c1nc(Sc1cc3occc3cc1Br)n2CCC1CCNC1.

What is the InChIKey of 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine?

The InChIKey is ICRWJIUPESJQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O2S.C21H24ClN5O3S.C20H20BrN5OS/c22-15-9-14-4-8-29-17(14)10-18(15)30-21-25-19-16(1-5-24-20(19)23)27(21)7-3-13-2-6-26(11-13)12-28;1-30-14-2-3-15(22)17(10-14)31-21-25-19-16(4-7-24-20(19)23)27(21)9-6-13-5-8-26(11-13)18(29)12-28;21-14-9-13-4-8-27-16(13)10-17(14)28-20-25-18-15(2-6-24-19(18)22)26(20)7-3-12-1-5-23-11-12/h1,4-5,8-10,12-13H,2-3,6-7,11H2,(H2,23,24);2-4,7,10,13,28H,5-6,8-9,11-12H2,1H3,(H2,23,24);2,4,6,8-10,12,23H,1,3,5,7,11H2,(H2,22,24).

What are the key properties of 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine?

3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 1406.75 g/mol, XLogP of 12.27, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-amino-2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidine-1-carbaldehyde;1-[3-[2-[4-amino-2-(2-chloro-5-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-1-yl]ethyl]pyrrolidin-1-yl]-2-hydroxyethanone;2-[(5-bromo-1-benzofuran-6-yl)sulfanyl]-1-(2-pyrrolidin-3-ylethyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 158660530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).