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

C14H19ClN4 — CID 79294737

IUPAC2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCCC1Cn1c(CCl)nc2cccnc21
InChIInChI=1S/C14H19ClN4/c1-18-8-3-2-5-11(18)10-19-13(9-15)17-12-6-4-7-16-14(12)19/h4,6-7,11H,2-3,5,8-10H2,1H3
InChIKeyDRNURCJSISSLDZ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.65
Rot. Bonds3

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

2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79294737) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID79294737
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCCC1Cn1c(CCl)nc2cccnc21
InChIInChI=1S/C14H19ClN4/c1-18-8-3-2-5-11(18)10-19-13(9-15)17-12-6-4-7-16-14(12)19/h4,6-7,11H,2-3,5,8-10H2,1H3
InChIKeyDRNURCJSISSLDZ-UHFFFAOYSA-N
XLogP2.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.65
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)-5-methyl-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 81136168
2-(furan-2-yl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164375
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
2-[2-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163596
2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164356
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
2-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163166
2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164354

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 79294737) is 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine is CN1CCCCC1Cn1c(CCl)nc2cccnc21.
What is the InChIKey of 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is DRNURCJSISSLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-18-8-3-2-5-11(18)10-19-13(9-15)17-12-6-4-7-16-14(12)19/h4,6-7,11H,2-3,5,8-10H2,1H3.
What are the key properties of 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 278.79 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).