methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate

C19H20BrN3O2 — CID 70208197

IUPACmethyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate
SMILESCCCCc1nc2cccnc2n1Cc1ccc(C(=O)OC)c(Br)c1
InChIInChI=1S/C19H20BrN3O2/c1-3-4-7-17-22-16-6-5-10-21-18(16)23(17)12-13-8-9-14(15(20)11-13)19(24)25-2/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKeyVFTSLRDQFSOMCM-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.37
Rot. Bonds6

About methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate

methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate (PubChem CID 70208197) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate
PubChem CID70208197
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Namemethyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate
SMILESCCCCc1nc2cccnc2n1Cc1ccc(C(=O)OC)c(Br)c1
InChIInChI=1S/C19H20BrN3O2/c1-3-4-7-17-22-16-6-5-10-21-18(16)23(17)12-13-8-9-14(15(20)11-13)19(24)25-2/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKeyVFTSLRDQFSOMCM-UHFFFAOYSA-N
XLogP4.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate with MolForge

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Related Compounds

methyl 6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-chloro-1-benzothiophene-2-carboxylate
CID 19044791
6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-(3-carboxy-2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
CID 18663762
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 67843183
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
1-[4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-chloropyrrole-2-carbonitrile
CID 19759228
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
CID 46360070
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485125
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
CID 46360040
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate
CID 112617607

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate?
The IUPAC name of methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate (CID 70208197) is methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate?
The canonical SMILES for methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate is CCCCc1nc2cccnc2n1Cc1ccc(C(=O)OC)c(Br)c1.
What is the InChIKey of methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate?
The InChIKey is VFTSLRDQFSOMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-3-4-7-17-22-16-6-5-10-21-18(16)23(17)12-13-8-9-14(15(20)11-13)19(24)25-2/h5-6,8-11H,3-4,7,12H2,1-2H3.
What are the key properties of methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate?
methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate has a molecular weight of 402.29 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate is sourced from PubChem (CID 70208197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).