4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C26H24F5N5O2S — CID 24758057

IUPAC4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCC(F)(F)CC5)cc4)cnc23)cs1
InChIInChI=1S/C26H24F5N5O2S/c27-25(28)5-7-35(8-6-25)9-10-38-20-3-1-17(2-4-20)19-12-32-23-21(13-34-36(23)14-19)18-11-22(39-15-18)24(37)33-16-26(29,30)31/h1-4,11-15H,5-10,16H2,(H,33,37)
InChIKeyPJMLMKUPXMVVKX-UHFFFAOYSA-N
MW565.57 g/mol
LogP5.53
Rot. Bonds8

About 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 24758057) has the molecular formula C26H24F5N5O2S and a molecular weight of 565.57 g/mol. Its IUPAC name is 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID24758057
Molecular FormulaC26H24F5N5O2S
Molecular Weight565.57 g/mol
Exact Mass565.16
IUPAC Name4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCC(F)(F)CC5)cc4)cnc23)cs1
InChIInChI=1S/C26H24F5N5O2S/c27-25(28)5-7-35(8-6-25)9-10-38-20-3-1-17(2-4-20)19-12-32-23-21(13-34-36(23)14-19)18-11-22(39-15-18)24(37)33-16-26(29,30)31/h1-4,11-15H,5-10,16H2,(H,33,37)
InChIKeyPJMLMKUPXMVVKX-UHFFFAOYSA-N
XLogP5.53
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.57
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 24758057) is 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCC(F)(F)CC5)cc4)cnc23)cs1.
What is the InChIKey of 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is PJMLMKUPXMVVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F5N5O2S/c27-25(28)5-7-35(8-6-25)9-10-38-20-3-1-17(2-4-20)19-12-32-23-21(13-34-36(23)14-19)18-11-22(39-15-18)24(37)33-16-26(29,30)31/h1-4,11-15H,5-10,16H2,(H,33,37).
What are the key properties of 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 565.57 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 24758057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).