4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline

C24H16FN7 — CID 89148426

IUPAC4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline
SMILESNc1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cc1
InChIInChI=1S/C24H16FN7/c25-19-6-5-17(18-13-29-30-23(18)19)21-22(15-7-10-27-11-8-15)31-32-20(9-12-28-24(21)32)14-1-3-16(26)4-2-14/h1-13H,26H2,(H,29,30)
InChIKeyUXDYCKHYKXBXNG-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.72
Rot. Bonds3

About 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline

4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline (PubChem CID 89148426) has the molecular formula C24H16FN7 and a molecular weight of 421.44 g/mol. Its IUPAC name is 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline.

Molecular Properties

Compound Name4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline
PubChem CID89148426
Molecular FormulaC24H16FN7
Molecular Weight421.44 g/mol
Exact Mass421.15
IUPAC Name4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline
SMILESNc1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cc1
InChIInChI=1S/C24H16FN7/c25-19-6-5-17(18-13-29-30-23(18)19)21-22(15-7-10-27-11-8-15)31-32-20(9-12-28-24(21)32)14-1-3-16(26)4-2-14/h1-13H,26H2,(H,29,30)
InChIKeyUXDYCKHYKXBXNG-UHFFFAOYSA-N
XLogP4.72
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The IUPAC name of 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline (CID 89148426) is 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline.
What is the SMILES notation for 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The canonical SMILES for 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline is Nc1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cc1.
What is the InChIKey of 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline?
The InChIKey is UXDYCKHYKXBXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7/c25-19-6-5-17(18-13-29-30-23(18)19)21-22(15-7-10-27-11-8-15)31-32-20(9-12-28-24(21)32)14-1-3-16(26)4-2-14/h1-13H,26H2,(H,29,30).
What are the key properties of 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline?
4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline has a molecular weight of 421.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]aniline is sourced from PubChem (CID 89148426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).