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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Related Compounds

3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride
CID 141252920
(1S,4S)-1-tert-butyl-5-[3,5-difluoro-4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68666288
(1S,4S)-1-tert-butyl-5-[3-fluoro-4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68666069
tert-butyl (1R,4R)-5-[3-fluoro-4-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 59177953
7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177962
7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177963
7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 90973438
ethyl 3-[3-(7-chloro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-5-ethyl-2-methylpyrrolidine-1-carboxylate
CID 70921034
ethyl 3-[3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68665656
tert-butyl (1S,4S)-5-[[4-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68666300
3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 56738010
7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56922577

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).