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

C24H21F2N5O4S — CID 2945612

IUPAC7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H21F2N5O4S/c25-22(26)21-14-20(16-5-2-1-3-6-16)29-23-19(15-27-31(21)23)24(32)28-17-7-4-8-18(13-17)36(33,34)30-9-11-35-12-10-30/h1-8,13-15,22H,9-12H2,(H,28,32)
InChIKeyWCWYAXDEUMJQTC-UHFFFAOYSA-N
MW513.53 g/mol
LogP3.61
Rot. Bonds6

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

7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2945612) has the molecular formula C24H21F2N5O4S and a molecular weight of 513.53 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2945612
Molecular FormulaC24H21F2N5O4S
Molecular Weight513.53 g/mol
Exact Mass513.13
IUPAC Name7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C24H21F2N5O4S/c25-22(26)21-14-20(16-5-2-1-3-6-16)29-23-19(15-27-31(21)23)24(32)28-17-7-4-8-18(13-17)36(33,34)30-9-11-35-12-10-30/h1-8,13-15,22H,9-12H2,(H,28,32)
InChIKeyWCWYAXDEUMJQTC-UHFFFAOYSA-N
XLogP3.61
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2945612) is 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WCWYAXDEUMJQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4S/c25-22(26)21-14-20(16-5-2-1-3-6-16)29-23-19(15-27-31(21)23)24(32)28-17-7-4-8-18(13-17)36(33,34)30-9-11-35-12-10-30/h1-8,13-15,22H,9-12H2,(H,28,32).
What are the key properties of 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 513.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2945612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).