5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

C29H23FN4O2 — CID 146350103

IUPAC5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccnc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C29H23FN4O2/c1-15(2)24-25(19-9-11-32-28-21(19)14-22(33-28)16-6-4-3-5-7-16)27(29(35)36)34-26(24)20-12-17(30)13-23-18(20)8-10-31-23/h3-15,31,34H,1-2H3,(H,32,33)(H,35,36)
InChIKeyQOMPTERKPJCRRA-UHFFFAOYSA-N
MW478.53 g/mol
LogP7.33
Rot. Bonds5

About 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 146350103) has the molecular formula C29H23FN4O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID146350103
Molecular FormulaC29H23FN4O2
Molecular Weight478.53 g/mol
Exact Mass478.18
IUPAC Name5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccnc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C29H23FN4O2/c1-15(2)24-25(19-9-11-32-28-21(19)14-22(33-28)16-6-4-3-5-7-16)27(29(35)36)34-26(24)20-12-17(30)13-23-18(20)8-10-31-23/h3-15,31,34H,1-2H3,(H,32,33)(H,35,36)
InChIKeyQOMPTERKPJCRRA-UHFFFAOYSA-N
XLogP7.33
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 57.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 146350103) is 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccnc2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is QOMPTERKPJCRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN4O2/c1-15(2)24-25(19-9-11-32-28-21(19)14-22(33-28)16-6-4-3-5-7-16)27(29(35)36)34-26(24)20-12-17(30)13-23-18(20)8-10-31-23/h3-15,31,34H,1-2H3,(H,32,33)(H,35,36).
What are the key properties of 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 478.53 g/mol, XLogP of 7.33, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-indol-4-yl)-3-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146350103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).