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

C24H21FN4O2 — CID 146350246

IUPAC5-(6-fluoro-1H-indol-4-yl)-3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCc1cnc2[nH]ccc2c1-c1c(C(=O)O)[nH]c(-c2cc(F)cc3[nH]ccc23)c1C(C)C
InChIInChI=1S/C24H21FN4O2/c1-11(2)18-20(19-12(3)10-28-23-15(19)5-7-27-23)22(24(30)31)29-21(18)16-8-13(25)9-17-14(16)4-6-26-17/h4-11,26,29H,1-3H3,(H,27,28)(H,30,31)
InChIKeyRYDABHYKQRJEPN-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.98
Rot. Bonds4

About 5-(6-fluoro-1H-indol-4-yl)-3-(5-methyl-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-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 146350246) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-4-yl)-3-(5-methyl-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-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID146350246
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name5-(6-fluoro-1H-indol-4-yl)-3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCc1cnc2[nH]ccc2c1-c1c(C(=O)O)[nH]c(-c2cc(F)cc3[nH]ccc23)c1C(C)C
InChIInChI=1S/C24H21FN4O2/c1-11(2)18-20(19-12(3)10-28-23-15(19)5-7-27-23)22(24(30)31)29-21(18)16-8-13(25)9-17-14(16)4-6-26-17/h4-11,26,29H,1-3H3,(H,27,28)(H,30,31)
InChIKeyRYDABHYKQRJEPN-UHFFFAOYSA-N
XLogP5.98
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 5-(6-fluoro-1H-indol-4-yl)-3-(5-methyl-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-(5-methyl-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-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 146350246) is 5-(6-fluoro-1H-indol-4-yl)-3-(5-methyl-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-(5-methyl-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-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is Cc1cnc2[nH]ccc2c1-c1c(C(=O)O)[nH]c(-c2cc(F)cc3[nH]ccc23)c1C(C)C.
What is the InChIKey of 5-(6-fluoro-1H-indol-4-yl)-3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is RYDABHYKQRJEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-11(2)18-20(19-12(3)10-28-23-15(19)5-7-27-23)22(24(30)31)29-21(18)16-8-13(25)9-17-14(16)4-6-26-17/h4-11,26,29H,1-3H3,(H,27,28)(H,30,31).
What are the key properties of 5-(6-fluoro-1H-indol-4-yl)-3-(5-methyl-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-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 416.46 g/mol, XLogP of 5.98, 4 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-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146350246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).