methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate

C22H26N4O5 — CID 26136633

IUPACmethyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCn1c(C(=O)OC)c(NC(C)=O)c2cc(NCc3cccc(OCCO)c3)cnc21
InChIInChI=1S/C22H26N4O5/c1-4-26-20(22(29)30-3)19(25-14(2)28)18-11-16(13-24-21(18)26)23-12-15-6-5-7-17(10-15)31-9-8-27/h5-7,10-11,13,23,27H,4,8-9,12H2,1-3H3,(H,25,28)
InChIKeyVYWMYGHVRSFPMA-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.78
Rot. Bonds9

About methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 26136633) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID26136633
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Namemethyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCn1c(C(=O)OC)c(NC(C)=O)c2cc(NCc3cccc(OCCO)c3)cnc21
InChIInChI=1S/C22H26N4O5/c1-4-26-20(22(29)30-3)19(25-14(2)28)18-11-16(13-24-21(18)26)23-12-15-6-5-7-17(10-15)31-9-8-27/h5-7,10-11,13,23,27H,4,8-9,12H2,1-3H3,(H,25,28)
InChIKeyVYWMYGHVRSFPMA-UHFFFAOYSA-N
XLogP2.78
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate 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 3-acetamido-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26136995
methyl 3-acetamido-5-[(2,5-dimethylphenyl)methylamino]-1-ethylpyrrolo[2,3-b]pyridine-2-carboxylate
CID 26133875
methyl 3-benzamido-5-[[4-(2-hydroxyethoxy)phenyl]methylamino]-1-[[(2R)-oxolan-2-yl]methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 98307781
methyl 3-acetamido-1-ethyl-5-[4-(4-methoxyphenyl)butan-2-ylamino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 45160695
methyl 5-[(3-fluorophenyl)methylamino]-1-(2-methoxyethyl)-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26145173
methyl 5-[(3,4-dimethoxyphenyl)methylamino]-1-(2-methoxyethyl)-3-[(2-phenylacetyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 45161259
methyl 3-acetamido-1-ethyl-5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26137995
methyl 1-(2-methoxyethyl)-5-[(4-methoxyphenyl)methylamino]-3-(3-phenylpropanoylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26135170
methyl 5-[(4-hydroxyphenyl)methylamino]-1-(2-methylpropyl)-3-[(2-phenylacetyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26223333
methyl 5-[(4-methoxycarbonylphenyl)methylamino]-1-(2-methylpropyl)-3-[(2-phenylacetyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26133169
methyl 1-ethyl-5-[(4-methoxy-3-methylphenyl)methylamino]-3-[[(3R)-oxolane-3-carbonyl]amino]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26133315
methyl 5-[(3-chlorophenyl)methylamino]-3-(furan-3-carbonylamino)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26143152

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate (CID 26136633) is methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate is CCn1c(C(=O)OC)c(NC(C)=O)c2cc(NCc3cccc(OCCO)c3)cnc21.
What is the InChIKey of methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is VYWMYGHVRSFPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-4-26-20(22(29)30-3)19(25-14(2)28)18-11-16(13-24-21(18)26)23-12-15-6-5-7-17(10-15)31-9-8-27/h5-7,10-11,13,23,27H,4,8-9,12H2,1-3H3,(H,25,28).
What are the key properties of methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-1-ethyl-5-[[3-(2-hydroxyethoxy)phenyl]methylamino]pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 26136633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).