7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23F2N5O5S — CID 2964194

IUPAC7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cc1
InChIInChI=1S/C25H23F2N5O5S/c1-36-18-7-5-16(6-8-18)21-14-22(23(26)27)32-24(30-21)20(15-28-32)25(33)29-17-3-2-4-19(13-17)38(34,35)31-9-11-37-12-10-31/h2-8,13-15,23H,9-12H2,1H3,(H,29,33)
InChIKeyAEJKFMZISYFLLE-UHFFFAOYSA-N
MW543.55 g/mol
LogP3.62
Rot. Bonds7

About 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2964194) has the molecular formula C25H23F2N5O5S and a molecular weight of 543.55 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2964194
Molecular FormulaC25H23F2N5O5S
Molecular Weight543.55 g/mol
Exact Mass543.14
IUPAC Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cc1
InChIInChI=1S/C25H23F2N5O5S/c1-36-18-7-5-16(6-8-18)21-14-22(23(26)27)32-24(30-21)20(15-28-32)25(33)29-17-3-2-4-19(13-17)38(34,35)31-9-11-37-12-10-31/h2-8,13-15,23H,9-12H2,1H3,(H,29,33)
InChIKeyAEJKFMZISYFLLE-UHFFFAOYSA-N
XLogP3.62
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2964194) is 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AEJKFMZISYFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O5S/c1-36-18-7-5-16(6-8-18)21-14-22(23(26)27)32-24(30-21)20(15-28-32)25(33)29-17-3-2-4-19(13-17)38(34,35)31-9-11-37-12-10-31/h2-8,13-15,23H,9-12H2,1H3,(H,29,33).
What are the key properties of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 543.55 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2964194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).