7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine

C12H11Cl2N5 — CID 114286238

IUPAC7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine
SMILESCn1cc(-n2c(CCCl)nc3cncc(Cl)c32)cn1
InChIInChI=1S/C12H11Cl2N5/c1-18-7-8(4-16-18)19-11(2-3-13)17-10-6-15-5-9(14)12(10)19/h4-7H,2-3H2,1H3
InChIKeyUOZXMMUGTZOSPL-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.59
Rot. Bonds3

About 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine

7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine (PubChem CID 114286238) has the molecular formula C12H11Cl2N5 and a molecular weight of 296.16 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine
PubChem CID114286238
Molecular FormulaC12H11Cl2N5
Molecular Weight296.16 g/mol
Exact Mass295.04
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine
SMILESCn1cc(-n2c(CCCl)nc3cncc(Cl)c32)cn1
InChIInChI=1S/C12H11Cl2N5/c1-18-7-8(4-16-18)19-11(2-3-13)17-10-6-15-5-9(14)12(10)19/h4-7H,2-3H2,1H3
InChIKeyUOZXMMUGTZOSPL-UHFFFAOYSA-N
XLogP2.59
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.59
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

7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine
CID 114286247
2-(chloromethyl)-6,7-difluoro-1-(1-methylpyrazol-4-yl)benzimidazole
CID 79778914
5-bromo-2-(chloromethyl)-1-(1-methylpyrazol-4-yl)benzimidazole
CID 79779426
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
7-chloro-2-(chloromethyl)-1-(1-cyclobutylethyl)imidazo[4,5-c]pyridine
CID 114286257
4-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)triazole
CID 79786354
3-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 43667000
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
CID 43666832
7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940
7-chloro-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-amine
CID 114286165
2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79273787
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine (CID 114286238) is 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine is Cn1cc(-n2c(CCCl)nc3cncc(Cl)c32)cn1.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine?
The InChIKey is UOZXMMUGTZOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5/c1-18-7-8(4-16-18)19-11(2-3-13)17-10-6-15-5-9(14)12(10)19/h4-7H,2-3H2,1H3.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine?
7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 296.16 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 114286238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).