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

C34H32FN5O2 — CID 146634403

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

7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146634403) has the molecular formula C34H32FN5O2 and a molecular weight of 561.66 g/mol. Its IUPAC name is 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• PubChem CID: 146634403
• Molecular Formula: C34H32FN5O2
• Molecular Weight: 561.66 g/mol
• Exact Mass: 561.25
• IUPAC Name: 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• SMILES: CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12
• InChI: InChI=1S/C34H32FN5O2/c1-34(2)21-42-33(39-34)25-16-10-15-24(29(25)35)28-17-26-27(32(41)36-3)18-37-31(30(26)38-28)40(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23/h4-18,38H,19-21H2,1-3H3,(H,36,41)
• InChIKey: HAGXACYLUDCBIH-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 82.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.66
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The IUPAC name of 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146634403) is 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

What is the SMILES notation for 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The canonical SMILES for 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12.

What is the InChIKey of 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The InChIKey is HAGXACYLUDCBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O2/c1-34(2)21-42-33(39-34)25-16-10-15-24(29(25)35)28-17-26-27(32(41)36-3)18-37-31(30(26)38-28)40(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23/h4-18,38H,19-21H2,1-3H3,(H,36,41).

What are the key properties of 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 561.66 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146634403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).