2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine

C15H18ClN5 — CID 115991019

IUPAC2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine
SMILESCc1nn(C)cc1Cn1c(CCCl)nc2c(C)ccnc21
InChIInChI=1S/C15H18ClN5/c1-10-5-7-17-15-14(10)18-13(4-6-16)21(15)9-12-8-20(3)19-11(12)2/h5,7-8H,4,6,9H2,1-3H3
InChIKeySFIODUUDMPYWRG-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.61
Rot. Bonds4

About 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine (PubChem CID 115991019) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine
PubChem CID115991019
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine
SMILESCc1nn(C)cc1Cn1c(CCCl)nc2c(C)ccnc21
InChIInChI=1S/C15H18ClN5/c1-10-5-7-17-15-14(10)18-13(4-6-16)21(15)9-12-8-20(3)19-11(12)2/h5,7-8H,4,6,9H2,1-3H3
InChIKeySFIODUUDMPYWRG-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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Related Compounds

2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-[[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375958
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79294107
2-(2-chloroethyl)-7-methyl-3-(thiophen-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293233
2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79293597
2-(2-chloroethyl)-7-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521123
N-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79293158
3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420277
2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79279788

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine (CID 115991019) is 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine is Cc1nn(C)cc1Cn1c(CCCl)nc2c(C)ccnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine?
The InChIKey is SFIODUUDMPYWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-10-5-7-17-15-14(10)18-13(4-6-16)21(15)9-12-8-20(3)19-11(12)2/h5,7-8H,4,6,9H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-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-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 115991019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).