7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C33H28FN5O2 — CID 146634531

IUPAC7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12
InChIInChI=1S/C33H28FN5O2/c1-21-36-18-29(41-21)25-15-9-14-24(30(25)34)28-16-26-27(33(40)35-2)17-37-32(31(26)38-28)39(19-22-10-5-3-6-11-22)20-23-12-7-4-8-13-23/h3-18,38H,19-20H2,1-2H3,(H,35,40)
InChIKeySBUURYXCSRXOMO-UHFFFAOYSA-N
MW545.62 g/mol
LogP6.90
Rot. Bonds8

About 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146634531) has the molecular formula C33H28FN5O2 and a molecular weight of 545.62 g/mol. Its IUPAC name is 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146634531
Molecular FormulaC33H28FN5O2
Molecular Weight545.62 g/mol
Exact Mass545.22
IUPAC Name7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12
InChIInChI=1S/C33H28FN5O2/c1-21-36-18-29(41-21)25-15-9-14-24(30(25)34)28-16-26-27(33(40)35-2)17-37-32(31(26)38-28)39(19-22-10-5-3-6-11-22)20-23-12-7-4-8-13-23/h3-18,38H,19-20H2,1-2H3,(H,35,40)
InChIKeySBUURYXCSRXOMO-UHFFFAOYSA-N
XLogP6.90
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.62
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide 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 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146634531) is 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12.
What is the InChIKey of 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is SBUURYXCSRXOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN5O2/c1-21-36-18-29(41-21)25-15-9-14-24(30(25)34)28-16-26-27(33(40)35-2)17-37-32(31(26)38-28)39(19-22-10-5-3-6-11-22)20-23-12-7-4-8-13-23/h3-18,38H,19-20H2,1-2H3,(H,35,40).
What are the key properties of 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 545.62 g/mol, XLogP of 6.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dibenzylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146634531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).