2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

C26H17F4N5O2 — CID 122604099

IUPAC2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)ccc2c(CO)cnn12)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C26H17F4N5O2/c27-21-12-20(26(28,29)30)18(23-31-9-4-10-32-23)11-19(21)25(37)34-24-17(15-5-2-1-3-6-15)7-8-22-16(14-36)13-33-35(22)24/h1-13,36H,14H2,(H,34,37)
InChIKeyZXKAXYFQLPHXCU-UHFFFAOYSA-N
MW507.45 g/mol
LogP5.36
Rot. Bonds5

About 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 122604099) has the molecular formula C26H17F4N5O2 and a molecular weight of 507.45 g/mol. Its IUPAC name is 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID122604099
Molecular FormulaC26H17F4N5O2
Molecular Weight507.45 g/mol
Exact Mass507.13
IUPAC Name2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)ccc2c(CO)cnn12)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F
InChIInChI=1S/C26H17F4N5O2/c27-21-12-20(26(28,29)30)18(23-31-9-4-10-32-23)11-19(21)25(37)34-24-17(15-5-2-1-3-6-15)7-8-22-16(14-36)13-33-35(22)24/h1-13,36H,14H2,(H,34,37)
InChIKeyZXKAXYFQLPHXCU-UHFFFAOYSA-N
XLogP5.36
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.45
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 122604099) is 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is O=C(Nc1c(-c2ccccc2)ccc2c(CO)cnn12)c1cc(-c2ncccn2)c(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is ZXKAXYFQLPHXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N5O2/c27-21-12-20(26(28,29)30)18(23-31-9-4-10-32-23)11-19(21)25(37)34-24-17(15-5-2-1-3-6-15)7-8-22-16(14-36)13-33-35(22)24/h1-13,36H,14H2,(H,34,37).
What are the key properties of 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 507.45 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(hydroxymethyl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122604099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).