2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine

C13H14ClN5 — CID 103008727

IUPAC2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCn1nccc1CCn1c(CCl)nc2cccnc21
InChIInChI=1S/C13H14ClN5/c1-18-10(4-7-16-18)5-8-19-12(9-14)17-11-3-2-6-15-13(11)19/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYLUBPDRDUAXAKY-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.15
Rot. Bonds4

About 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 103008727) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID103008727
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCn1nccc1CCn1c(CCl)nc2cccnc21
InChIInChI=1S/C13H14ClN5/c1-18-10(4-7-16-18)5-8-19-12(9-14)17-11-3-2-6-15-13(11)19/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYLUBPDRDUAXAKY-UHFFFAOYSA-N
XLogP2.15
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.15
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

3-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 114186561
2-(chloromethyl)-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 79294299
6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 103008938
N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79294605
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
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81178423
2-(chloromethyl)-3-[(3-ethyl-2-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 82741938
2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine
CID 114004330

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine (CID 103008727) is 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine is Cn1nccc1CCn1c(CCl)nc2cccnc21.
What is the InChIKey of 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is YLUBPDRDUAXAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-18-10(4-7-16-18)5-8-19-12(9-14)17-11-3-2-6-15-13(11)19/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 275.74 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 103008727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).