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

C15H18ClN5 — CID 106036574

IUPAC2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2Cc1cnn(C)c1C
InChIInChI=1S/C15H18ClN5/c1-10-6-13-15(17-7-10)21(14(19-13)4-5-16)9-12-8-18-20(3)11(12)2/h6-8H,4-5,9H2,1-3H3
InChIKeyARDWJRCEEIMXPL-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.61
Rot. Bonds4

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

2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine (PubChem CID 106036574) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
PubChem CID106036574
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2Cc1cnn(C)c1C
InChIInChI=1S/C15H18ClN5/c1-10-6-13-15(17-7-10)21(14(19-13)4-5-16)9-12-8-18-20(3)11(12)2/h6-8H,4-5,9H2,1-3H3
InChIKeyARDWJRCEEIMXPL-UHFFFAOYSA-N
XLogP2.61
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine (CID 106036574) is 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2Cc1cnn(C)c1C.
What is the InChIKey of 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine?
The InChIKey is ARDWJRCEEIMXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-10-6-13-15(17-7-10)21(14(19-13)4-5-16)9-12-8-18-20(3)11(12)2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine has a molecular weight of 303.80 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 106036574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).