5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid

C26H17F2N3O2 — CID 69031733

IUPAC5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C26H17F2N3O2/c1-31-21(26(32)33)14-20-25(31)23(15-2-6-18(27)7-3-15)22(16-10-12-29-13-11-16)24(30-20)17-4-8-19(28)9-5-17/h2-14H,1H3,(H,32,33)
InChIKeyFFZOCQIOFBPWMJ-UHFFFAOYSA-N
MW441.44 g/mol
LogP5.95
Rot. Bonds4

About 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid

5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 69031733) has the molecular formula C26H17F2N3O2 and a molecular weight of 441.44 g/mol. Its IUPAC name is 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID69031733
Molecular FormulaC26H17F2N3O2
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC Name5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C26H17F2N3O2/c1-31-21(26(32)33)14-20-25(31)23(15-2-6-18(27)7-3-15)22(16-10-12-29-13-11-16)24(30-20)17-4-8-19(28)9-5-17/h2-14H,1H3,(H,32,33)
InChIKeyFFZOCQIOFBPWMJ-UHFFFAOYSA-N
XLogP5.95
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.44
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 69031733) is 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid is Cn1c(C(=O)O)cc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c21.
What is the InChIKey of 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is FFZOCQIOFBPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N3O2/c1-31-21(26(32)33)14-20-25(31)23(15-2-6-18(27)7-3-15)22(16-10-12-29-13-11-16)24(30-20)17-4-8-19(28)9-5-17/h2-14H,1H3,(H,32,33).
What are the key properties of 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid?
5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 441.44 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-fluorophenyl)-1-methyl-6-pyridin-4-ylpyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 69031733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).