ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate

C23H28N4O3 — CID 42791866

IUPACethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(Cc1cc(C)n(C)n1)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C23H28N4O3/c1-5-30-23(29)19-11-17(19)13-27(14-18-10-15(2)26(4)24-18)22(28)21-12-16-8-6-7-9-20(16)25(21)3/h6-10,12,17,19H,5,11,13-14H2,1-4H3
InChIKeyRAJCAPNZLVTXFY-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.06
Rot. Bonds7

About ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate

ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 42791866) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID42791866
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Nameethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(Cc1cc(C)n(C)n1)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C23H28N4O3/c1-5-30-23(29)19-11-17(19)13-27(14-18-10-15(2)26(4)24-18)22(28)21-12-16-8-6-7-9-20(16)25(21)3/h6-10,12,17,19H,5,11,13-14H2,1-4H3
InChIKeyRAJCAPNZLVTXFY-UHFFFAOYSA-N
XLogP3.06
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate (CID 42791866) is ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN(Cc1cc(C)n(C)n1)C(=O)c1cc2ccccc2n1C.
What is the InChIKey of ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is RAJCAPNZLVTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-5-30-23(29)19-11-17(19)13-27(14-18-10-15(2)26(4)24-18)22(28)21-12-16-8-6-7-9-20(16)25(21)3/h6-10,12,17,19H,5,11,13-14H2,1-4H3.
What are the key properties of ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1,5-dimethylpyrazol-3-yl)methyl-(1-methylindole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 42791866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).