methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

C26H25N5O5 — CID 23768915

IUPACmethyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOC(=O)CNc1c(-c2ccc3c(c2)OCO3)nc2cc(C(=O)NCc3cccc(CN)c3)ccn12
InChIInChI=1S/C26H25N5O5/c1-34-23(32)14-28-25-24(18-5-6-20-21(10-18)36-15-35-20)30-22-11-19(7-8-31(22)25)26(33)29-13-17-4-2-3-16(9-17)12-27/h2-11,28H,12-15,27H2,1H3,(H,29,33)
InChIKeyCXSKEOVJYIKZKJ-UHFFFAOYSA-N
MW487.52 g/mol
LogP2.70
Rot. Bonds8

About methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 23768915) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID23768915
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Namemethyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCOC(=O)CNc1c(-c2ccc3c(c2)OCO3)nc2cc(C(=O)NCc3cccc(CN)c3)ccn12
InChIInChI=1S/C26H25N5O5/c1-34-23(32)14-28-25-24(18-5-6-20-21(10-18)36-15-35-20)30-22-11-19(7-8-31(22)25)26(33)29-13-17-4-2-3-16(9-17)12-27/h2-11,28H,12-15,27H2,1H3,(H,29,33)
InChIKeyCXSKEOVJYIKZKJ-UHFFFAOYSA-N
XLogP2.70
TPSA129.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23996618
N-[[3-(aminomethyl)phenyl]methyl]-2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carboxamide
CID 23963571
methyl 4-[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 23738412
methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23796751
N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23736368
N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide
CID 23731533
3-[[3-[(2-methoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 23989597
N-[[3-(aminomethyl)phenyl]methyl]-3-(cyclohexylamino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23880957
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410
N-[(3-bromophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 60739897
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
CID 42738374

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 23768915) is methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is COC(=O)CNc1c(-c2ccc3c(c2)OCO3)nc2cc(C(=O)NCc3cccc(CN)c3)ccn12.
What is the InChIKey of methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is CXSKEOVJYIKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5/c1-34-23(32)14-28-25-24(18-5-6-20-21(10-18)36-15-35-20)30-22-11-19(7-8-31(22)25)26(33)29-13-17-4-2-3-16(9-17)12-27/h2-11,28H,12-15,27H2,1H3,(H,29,33).
What are the key properties of methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 487.52 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 23768915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).