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

C23H17ClF5N5O4S2 — CID 11997906

IUPACN-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCC(O)C2)sc1Cl)c1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C23H17ClF5N5O4S2/c24-19-16(8-18(39-19)40(37,38)33-6-5-13(35)10-33)32-22(36)14-9-30-34-17(20(25)26)7-15(31-21(14)34)11-1-3-12(4-2-11)23(27,28)29/h1-4,7-9,13,20,35H,5-6,10H2,(H,32,36)
InChIKeyAMOZSBRNXVWCJB-UHFFFAOYSA-N
MW622.00 g/mol
LogP5.08
Rot. Bonds6

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

N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11997906) has the molecular formula C23H17ClF5N5O4S2 and a molecular weight of 622.00 g/mol. Its IUPAC name is N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11997906
Molecular FormulaC23H17ClF5N5O4S2
Molecular Weight622.00 g/mol
Exact Mass621.03
IUPAC NameN-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCC(O)C2)sc1Cl)c1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C23H17ClF5N5O4S2/c24-19-16(8-18(39-19)40(37,38)33-6-5-13(35)10-33)32-22(36)14-9-30-34-17(20(25)26)7-15(31-21(14)34)11-1-3-12(4-2-11)23(27,28)29/h1-4,7-9,13,20,35H,5-6,10H2,(H,32,36)
InChIKeyAMOZSBRNXVWCJB-UHFFFAOYSA-N
XLogP5.08
TPSA116.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.00
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11997909
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
N-[2-chloro-5-(1,3-dihydroxypropan-2-ylsulfamoyl)thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86607118
[5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorothiophen-3-yl]azanide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 159963080
2-amino-1,3-thiazole-5-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 171925988
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525
N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11997756
4-amino-5-methylthiophene-2-sulfonamide;7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 162621802
N-[4-(azepan-1-ylsulfonyl)phenyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995458
5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 69293088
[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-morpholin-4-ylsulfonylphenyl)carbamate
CID 69289397
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11997906) is N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCC(O)C2)sc1Cl)c1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AMOZSBRNXVWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF5N5O4S2/c24-19-16(8-18(39-19)40(37,38)33-6-5-13(35)10-33)32-22(36)14-9-30-34-17(20(25)26)7-15(31-21(14)34)11-1-3-12(4-2-11)23(27,28)29/h1-4,7-9,13,20,35H,5-6,10H2,(H,32,36).
What are the key properties of N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 622.00 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11997906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).