6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine

C14H15BrClN5 — CID 115990996

IUPAC6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1nn(C)cc1Cn1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C14H15BrClN5/c1-8(16)13-18-12-4-11(15)5-17-14(12)21(13)7-10-6-20(3)19-9(10)2/h4-6,8H,7H2,1-3H3
InChIKeyZVFBFMLXSBBESD-UHFFFAOYSA-N
MW368.67 g/mol
LogP3.58
Rot. Bonds3

About 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine

6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 115990996) has the molecular formula C14H15BrClN5 and a molecular weight of 368.67 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID115990996
Molecular FormulaC14H15BrClN5
Molecular Weight368.67 g/mol
Exact Mass367.02
IUPAC Name6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1nn(C)cc1Cn1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C14H15BrClN5/c1-8(16)13-18-12-4-11(15)5-17-14(12)21(13)7-10-6-20(3)19-9(10)2/h4-6,8H,7H2,1-3H3
InChIKeyZVFBFMLXSBBESD-UHFFFAOYSA-N
XLogP3.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79278437
2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole
CID 115990991
6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79302307
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79277845
6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 106897039
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79302117
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906
3-[2-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83112602

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine (CID 115990996) is 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine is Cc1nn(C)cc1Cn1c(C(C)Cl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is ZVFBFMLXSBBESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN5/c1-8(16)13-18-12-4-11(15)5-17-14(12)21(13)7-10-6-20(3)19-9(10)2/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 368.67 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 115990996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).