methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C33H28FN5O2 — CID 146634385

IUPACmethyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3F)cc12
InChIInChI=1S/C33H28FN5O2/c1-38-16-15-35-31(38)24-13-14-25(28(34)17-24)29-18-26-27(33(40)41-2)19-36-32(30(26)37-29)39(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-19,37H,20-21H2,1-2H3
InChIKeyRILYHTXZTKOHMZ-UHFFFAOYSA-N
MW545.62 g/mol
LogP6.76
Rot. Bonds8

About methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634385) has the molecular formula C33H28FN5O2 and a molecular weight of 545.62 g/mol. Its IUPAC name is methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634385
Molecular FormulaC33H28FN5O2
Molecular Weight545.62 g/mol
Exact Mass545.22
IUPAC Namemethyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3F)cc12
InChIInChI=1S/C33H28FN5O2/c1-38-16-15-35-31(38)24-13-14-25(28(34)17-24)29-18-26-27(33(40)41-2)19-36-32(30(26)37-29)39(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-19,37H,20-21H2,1-2H3
InChIKeyRILYHTXZTKOHMZ-UHFFFAOYSA-N
XLogP6.76
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.62
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-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 methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634385) is methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nccn4C)cc3F)cc12.
What is the InChIKey of methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is RILYHTXZTKOHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN5O2/c1-38-16-15-35-31(38)24-13-14-25(28(34)17-24)29-18-26-27(33(40)41-2)19-36-32(30(26)37-29)39(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-19,37H,20-21H2,1-2H3.
What are the key properties of methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 545.62 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(dibenzylamino)-2-[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).