2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine

C16H23ClN4 — CID 114516342

IUPAC2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CCC1CCN(C)CC1
InChIInChI=1S/C16H23ClN4/c1-12-3-7-18-16-15(12)19-14(11-17)21(16)10-6-13-4-8-20(2)9-5-13/h3,7,13H,4-6,8-11H2,1-2H3
InChIKeyFWBCRQKBJQJYEX-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.21
Rot. Bonds4

About 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 114516342) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID114516342
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CCC1CCN(C)CC1
InChIInChI=1S/C16H23ClN4/c1-12-3-7-18-16-15(12)19-14(11-17)21(16)10-6-13-4-8-20(2)9-5-13/h3,7,13H,4-6,8-11H2,1-2H3
InChIKeyFWBCRQKBJQJYEX-UHFFFAOYSA-N
XLogP3.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.21
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

2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199
2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 113475694
2-(1-chloroethyl)-7-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277491
3-(2-cyclopentylethyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288809
2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine
CID 79293674
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276099
2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 114111868
2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 114943375
ethyl 3-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79293015
3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276321
2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79294095

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine (CID 114516342) is 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2CCC1CCN(C)CC1.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is FWBCRQKBJQJYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-12-3-7-18-16-15(12)19-14(11-17)21(16)10-6-13-4-8-20(2)9-5-13/h3,7,13H,4-6,8-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 306.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 114516342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).