7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19F5N6O4S2 — CID 73173211

IUPAC7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)sc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C23H19F5N6O4S2/c1-11-21(40(37,38)33-7-6-14(35)10-33)39-22(30-11)32-20(36)15-9-29-34-17(18(24)25)8-16(31-19(15)34)12-2-4-13(5-3-12)23(26,27)28/h2-5,8-9,14,18,35H,6-7,10H2,1H3,(H,30,32,36)
InChIKeyHZEWHGOLXOFTKV-UHFFFAOYSA-N
MW602.57 g/mol
LogP4.13
Rot. Bonds6

About 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 73173211) has the molecular formula C23H19F5N6O4S2 and a molecular weight of 602.57 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID73173211
Molecular FormulaC23H19F5N6O4S2
Molecular Weight602.57 g/mol
Exact Mass602.08
IUPAC Name7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)sc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C23H19F5N6O4S2/c1-11-21(40(37,38)33-7-6-14(35)10-33)39-22(30-11)32-20(36)15-9-29-34-17(18(24)25)8-16(31-19(15)34)12-2-4-13(5-3-12)23(26,27)28/h2-5,8-9,14,18,35H,6-7,10H2,1H3,(H,30,32,36)
InChIKeyHZEWHGOLXOFTKV-UHFFFAOYSA-N
XLogP4.13
TPSA129.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 73173211) is 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)sc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HZEWHGOLXOFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N6O4S2/c1-11-21(40(37,38)33-7-6-14(35)10-33)39-22(30-11)32-20(36)15-9-29-34-17(18(24)25)8-16(31-19(15)34)12-2-4-13(5-3-12)23(26,27)28/h2-5,8-9,14,18,35H,6-7,10H2,1H3,(H,30,32,36).
What are the key properties of 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 602.57 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-yl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 73173211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).