methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

C18H15BrN4O2 — CID 4565107

IUPACmethyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOC(=O)CNc1c(-c2c[nH]c3ccccc23)nc2ccc(Br)cn12
InChIInChI=1S/C18H15BrN4O2/c1-25-16(24)9-21-18-17(22-15-7-6-11(19)10-23(15)18)13-8-20-14-5-3-2-4-12(13)14/h2-8,10,20-21H,9H2,1H3
InChIKeyJMTRTRYHXDVRSO-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.83
Rot. Bonds4

About methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 4565107) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID4565107
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Namemethyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOC(=O)CNc1c(-c2c[nH]c3ccccc23)nc2ccc(Br)cn12
InChIInChI=1S/C18H15BrN4O2/c1-25-16(24)9-21-18-17(22-15-7-6-11(19)10-23(15)18)13-8-20-14-5-3-2-4-12(13)14/h2-8,10,20-21H,9H2,1H3
InChIKeyJMTRTRYHXDVRSO-UHFFFAOYSA-N
XLogP3.83
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate with MolForge

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Related Compounds

6-bromo-2-(1H-indol-3-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 15995784
ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 5099661
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate
CID 132838239
2-[(6-bromo-2-tert-butylimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
CID 141239404
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
7-bromo-2-[[5-(1H-indol-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 135558476
[2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-carboxylate
CID 4659842
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 24821711
3-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-4-hydroxychromen-2-one
CID 132838692
N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
CID 46778917

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 4565107) is methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is COC(=O)CNc1c(-c2c[nH]c3ccccc23)nc2ccc(Br)cn12.
What is the InChIKey of methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is JMTRTRYHXDVRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-25-16(24)9-21-18-17(22-15-7-6-11(19)10-23(15)18)13-8-20-14-5-3-2-4-12(13)14/h2-8,10,20-21H,9H2,1H3.
What are the key properties of methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 399.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 4565107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).