2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine

C14H19ClN4 — CID 79294892

IUPAC2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1CCN1CCCC1
InChIInChI=1S/C14H19ClN4/c15-6-5-13-17-12-4-3-7-16-14(12)19(13)11-10-18-8-1-2-9-18/h3-4,7H,1-2,5-6,8-11H2
InChIKeyDQJLIOHCCDBLAN-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.31
Rot. Bonds5

About 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 79294892) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
PubChem CID79294892
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1CCN1CCCC1
InChIInChI=1S/C14H19ClN4/c15-6-5-13-17-12-4-3-7-16-14(12)19(13)11-10-18-8-1-2-9-18/h3-4,7H,1-2,5-6,8-11H2
InChIKeyDQJLIOHCCDBLAN-UHFFFAOYSA-N
XLogP2.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-piperidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159774
2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117166070
2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
CID 106005281
2-(2-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79294752
2-(1-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294964
2-(2-chloroethyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106431903
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
2-(2-chloroethyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 80686493
3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 14855700
2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294596

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (CID 79294892) is 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is ClCCc1nc2cccnc2n1CCN1CCCC1.
What is the InChIKey of 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is DQJLIOHCCDBLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c15-6-5-13-17-12-4-3-7-16-14(12)19(13)11-10-18-8-1-2-9-18/h3-4,7H,1-2,5-6,8-11H2.
What are the key properties of 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 278.79 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).