5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid

C24H19FN4O2 — CID 155317947

IUPAC5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid
SMILESCC(C)c1c(-c2ccc(C(=O)O)nc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O2/c1-13(2)23-22(14-3-8-19(24(30)31)26-11-14)18-10-20-15(12-27-28-20)9-21(18)29(23)17-6-4-16(25)5-7-17/h3-13H,1-2H3,(H,27,28)(H,30,31)
InChIKeyVTDZRTIRUIKQKH-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.53
Rot. Bonds4

About 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid

5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid (PubChem CID 155317947) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid
PubChem CID155317947
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid
SMILESCC(C)c1c(-c2ccc(C(=O)O)nc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H19FN4O2/c1-13(2)23-22(14-3-8-19(24(30)31)26-11-14)18-10-20-15(12-27-28-20)9-21(18)29(23)17-6-4-16(25)5-7-17/h3-13H,1-2H3,(H,27,28)(H,30,31)
InChIKeyVTDZRTIRUIKQKH-UHFFFAOYSA-N
XLogP5.53
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid (CID 155317947) is 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid is CC(C)c1c(-c2ccc(C(=O)O)nc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid?
The InChIKey is VTDZRTIRUIKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-13(2)23-22(14-3-8-19(24(30)31)26-11-14)18-10-20-15(12-27-28-20)9-21(18)29(23)17-6-4-16(25)5-7-17/h3-13H,1-2H3,(H,27,28)(H,30,31).
What are the key properties of 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid?
5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid has a molecular weight of 414.44 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 155317947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).