3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C28H27F2N3O2 — CID 166973060

IUPAC3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)NC3(c4ccc(O)cc4)CCC3)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C28H27F2N3O2/c1-16(2)26-20(27(35)31-28(14-5-15-28)18-8-10-19(34)11-9-18)12-13-23-24(17(3)32-33(23)26)25-21(29)6-4-7-22(25)30/h4,6-13,16,34H,5,14-15H2,1-3H3,(H,31,35)
InChIKeyPGNCZEXVIYGYEB-UHFFFAOYSA-N
MW475.54 g/mol
LogP6.23
Rot. Bonds5

About 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 166973060) has the molecular formula C28H27F2N3O2 and a molecular weight of 475.54 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID166973060
Molecular FormulaC28H27F2N3O2
Molecular Weight475.54 g/mol
Exact Mass475.21
IUPAC Name3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)NC3(c4ccc(O)cc4)CCC3)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C28H27F2N3O2/c1-16(2)26-20(27(35)31-28(14-5-15-28)18-8-10-19(34)11-9-18)12-13-23-24(17(3)32-33(23)26)25-21(29)6-4-7-22(25)30/h4,6-13,16,34H,5,14-15H2,1-3H3,(H,31,35)
InChIKeyPGNCZEXVIYGYEB-UHFFFAOYSA-N
XLogP6.23
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 166973060) is 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is Cc1nn2c(C(C)C)c(C(=O)NC3(c4ccc(O)cc4)CCC3)ccc2c1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is PGNCZEXVIYGYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O2/c1-16(2)26-20(27(35)31-28(14-5-15-28)18-8-10-19(34)11-9-18)12-13-23-24(17(3)32-33(23)26)25-21(29)6-4-7-22(25)30/h4,6-13,16,34H,5,14-15H2,1-3H3,(H,31,35).
What are the key properties of 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?
3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 475.54 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 166973060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).