6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine

C18H28BrN5 — CID 146328263

IUPAC6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine
SMILESCCC[C@@H](c1nc2cc(Br)cnc2n1CC)N1CCCN(C)CC1
InChIInChI=1S/C18H28BrN5/c1-4-7-16(23-9-6-8-22(3)10-11-23)18-21-15-12-14(19)13-20-17(15)24(18)5-2/h12-13,16H,4-11H2,1-3H3/t16-/m0/s1
InChIKeyVCADSLWKCNKBKT-INIZCTEOSA-N
MW394.36 g/mol
LogP3.69
Rot. Bonds5

About 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine

6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine (PubChem CID 146328263) has the molecular formula C18H28BrN5 and a molecular weight of 394.36 g/mol. Its IUPAC name is 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine
PubChem CID146328263
Molecular FormulaC18H28BrN5
Molecular Weight394.36 g/mol
Exact Mass393.15
IUPAC Name6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine
SMILESCCC[C@@H](c1nc2cc(Br)cnc2n1CC)N1CCCN(C)CC1
InChIInChI=1S/C18H28BrN5/c1-4-7-16(23-9-6-8-22(3)10-11-23)18-21-15-12-14(19)13-20-17(15)24(18)5-2/h12-13,16H,4-11H2,1-3H3/t16-/m0/s1
InChIKeyVCADSLWKCNKBKT-INIZCTEOSA-N
XLogP3.69
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine
CID 146328275
5-bromo-1-ethyl-6-fluoro-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]benzimidazole
CID 146659812
3-ethyl-6,7-dimethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
CID 166046837
6-bromo-3-ethyl-2-(1-piperidin-1-ylbutyl)pyrido[2,3-d]pyrimidin-4-one
CID 163800302
[3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-4-oxoquinazolin-6-yl]oxyboronic acid
CID 176719431
[3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-4-oxoquinazolin-6-yl]boronic acid
CID 156721359
3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-6-(trifluoromethyl)quinazolin-4-one
CID 166046807
6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
CID 156721306
3-[4-(dimethylamino)-1-[1-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]benzimidazol-5-yl]piperidin-4-yl]phenol
CID 146626874
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
6-bromo-2-butyl-3-ethylimidazo[4,5-b]pyridine;1,4-diazepane
CID 153396658
6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one
CID 163596442

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine (CID 146328263) is 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine is CCC[C@@H](c1nc2cc(Br)cnc2n1CC)N1CCCN(C)CC1.
What is the InChIKey of 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine?
The InChIKey is VCADSLWKCNKBKT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28BrN5/c1-4-7-16(23-9-6-8-22(3)10-11-23)18-21-15-12-14(19)13-20-17(15)24(18)5-2/h12-13,16H,4-11H2,1-3H3/t16-/m0/s1.
What are the key properties of 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine?
6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine has a molecular weight of 394.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 146328263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).