3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline

C26H23F2N5 — CID 155403295

IUPAC3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C)c4)ccc23)c1
InChIInChI=1S/C26H23F2N5/c1-16(2)31-22-9-18(23-6-5-21(27)11-25(23)28)8-19(10-22)24-13-30-33-15-17(4-7-26(24)33)20-12-29-32(3)14-20/h4-16,31H,1-3H3
InChIKeyVGCWWSLNXBRWSO-UHFFFAOYSA-N
MW443.50 g/mol
LogP6.17
Rot. Bonds5

About 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline

3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline (PubChem CID 155403295) has the molecular formula C26H23F2N5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline
PubChem CID155403295
Molecular FormulaC26H23F2N5
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C)c4)ccc23)c1
InChIInChI=1S/C26H23F2N5/c1-16(2)31-22-9-18(23-6-5-21(27)11-25(23)28)8-19(10-22)24-13-30-33-15-17(4-7-26(24)33)20-12-29-32(3)14-20/h4-16,31H,1-3H3
InChIKeyVGCWWSLNXBRWSO-UHFFFAOYSA-N
XLogP6.17
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
CID 155403297
6-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 169162772
6-chloro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
CID 155403549
3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine
CID 167707220
3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 167605149
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 54980296
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide
CID 176654473
3-[3-(2,4-difluorophenyl)-5-(methylsulfonylmethyl)phenyl]-6-[1-(oxan-4-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
CID 167580959
N-(2-methylpropyl)-6-(1-methylpyrazol-4-yl)-N-propylpyrazolo[1,5-a]pyridin-3-amine
CID 172585261
3-[2-amino-1-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]ethenyl]-N-cyclopropylsulfanyl-5-(2,4-difluorophenyl)aniline
CID 174000583
3-(cyclopropylsulfonylmethyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenol
CID 167614558

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline?
The IUPAC name of 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline (CID 155403295) is 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline is CC(C)Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C)c4)ccc23)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline?
The InChIKey is VGCWWSLNXBRWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5/c1-16(2)31-22-9-18(23-6-5-21(27)11-25(23)28)8-19(10-22)24-13-30-33-15-17(4-7-26(24)33)20-12-29-32(3)14-20/h4-16,31H,1-3H3.
What are the key properties of 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline?
3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline has a molecular weight of 443.50 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline is sourced from PubChem (CID 155403295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).