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

C19H30BrN5 — CID 146328275

IUPAC6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCC(c1nc2cc(Br)cnc2n1CCC)N1CCCN(C)CC1
InChIInChI=1S/C19H30BrN5/c1-4-7-17(24-10-6-9-23(3)11-12-24)19-22-16-13-15(20)14-21-18(16)25(19)8-5-2/h13-14,17H,4-12H2,1-3H3
InChIKeyPFXQAOBMMGKUJA-UHFFFAOYSA-N
MW408.39 g/mol
LogP4.08
Rot. Bonds6

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

6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine (PubChem CID 146328275) has the molecular formula C19H30BrN5 and a molecular weight of 408.39 g/mol. Its IUPAC name is 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine
PubChem CID146328275
Molecular FormulaC19H30BrN5
Molecular Weight408.39 g/mol
Exact Mass407.17
IUPAC Name6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCC(c1nc2cc(Br)cnc2n1CCC)N1CCCN(C)CC1
InChIInChI=1S/C19H30BrN5/c1-4-7-17(24-10-6-9-23(3)11-12-24)19-22-16-13-15(20)14-21-18(16)25(19)8-5-2/h13-14,17H,4-12H2,1-3H3
InChIKeyPFXQAOBMMGKUJA-UHFFFAOYSA-N
XLogP4.08
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine
CID 146328263
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
6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
CID 156721306
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 93210060
N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine
CID 146328349
6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one
CID 163596442
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine (CID 146328275) is 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine is CCCC(c1nc2cc(Br)cnc2n1CCC)N1CCCN(C)CC1.
What is the InChIKey of 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine?
The InChIKey is PFXQAOBMMGKUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN5/c1-4-7-17(24-10-6-9-23(3)11-12-24)19-22-16-13-15(20)14-21-18(16)25(19)8-5-2/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine?
6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine has a molecular weight of 408.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 146328275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).