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

C15H18ClN5 — CID 79279788

IUPAC2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1Cn1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C15H18ClN5/c1-9-5-6-17-15-14(9)18-13(7-16)21(15)8-12-10(2)19-20(4)11(12)3/h5-6H,7-8H2,1-4H3
InChIKeyAWEJCPAVFSXZSS-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.88
Rot. Bonds3

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

2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79279788) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID79279788
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1Cn1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C15H18ClN5/c1-9-5-6-17-15-14(9)18-13(7-16)21(15)8-12-10(2)19-20(4)11(12)3/h5-6H,7-8H2,1-4H3
InChIKeyAWEJCPAVFSXZSS-UHFFFAOYSA-N
XLogP2.88
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.88
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

2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79293455
3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81177532
2-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 114180809
2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 115991019
2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
CID 79238244
2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 114943375
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine
CID 79293674
2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 114516342
ethyl 3-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79293015

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine (CID 79279788) is 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine is Cc1nn(C)c(C)c1Cn1c(CCl)nc2c(C)ccnc21.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is AWEJCPAVFSXZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-9-5-6-17-15-14(9)18-13(7-16)21(15)8-12-10(2)19-20(4)11(12)3/h5-6H,7-8H2,1-4H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 303.80 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79279788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).