N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide

C28H17ClF6N10O5S2 — CID 158277975

IUPACN-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1.O=S(=O)(Nc1cc(Cl)nc2c(C(F)(F)F)cnn12)c1cccnc1
InChIInChI=1S/C16H10F3N5O3S.C12H7ClF3N5O2S/c17-16(18,19)11-9-21-24-14(23-28(25,26)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-27-13;13-9-4-10(20-24(22,23)7-2-1-3-17-5-7)21-11(19-9)8(6-18-21)12(14,15)16/h1-9,23H;1-6,20H
InChIKeyGJVSMXXTSSOLSA-UHFFFAOYSA-N
MW787.08 g/mol
LogP5.80
Rot. Bonds7

About N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide

N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide (PubChem CID 158277975) has the molecular formula C28H17ClF6N10O5S2 and a molecular weight of 787.08 g/mol. Its IUPAC name is N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
PubChem CID158277975
Molecular FormulaC28H17ClF6N10O5S2
Molecular Weight787.08 g/mol
Exact Mass786.04
IUPAC NameN-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1.O=S(=O)(Nc1cc(Cl)nc2c(C(F)(F)F)cnn12)c1cccnc1
InChIInChI=1S/C16H10F3N5O3S.C12H7ClF3N5O2S/c17-16(18,19)11-9-21-24-14(23-28(25,26)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-27-13;13-9-4-10(20-24(22,23)7-2-1-3-17-5-7)21-11(19-9)8(6-18-21)12(14,15)16/h1-9,23H;1-6,20H
InChIKeyGJVSMXXTSSOLSA-UHFFFAOYSA-N
XLogP5.80
TPSA191.64 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500787.08
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

US9815842, Example 63
CID 118540312
N-(5-chloro-2-pyridinyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16003331
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
CID 10024466
4-[5-[1-[(2-Fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-yl]sulfinylmorpholine
CID 12018230
N-(3-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
CID 12018237
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-4H-pyridine-3-sulfonamide
CID 71199022
ethane;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide
CID 142869962
N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfinamide
CID 142869963
3-[2-[4-(2-Fluoro-4-piperazin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)pyrazolo[5,1-f]purin-5-amine
CID 146467410
5-[2-[4-(2-Fluoro-4-piperazin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146467482
10-[2-[4-(2-Fluoro-4-piperazin-1-ylsulfonylphenyl)piperazin-1-yl]ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 146467922
N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
CID 157796656

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide (CID 158277975) is N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1cc(-c2ccco2)nc2c(C(F)(F)F)cnn12)c1cccnc1.O=S(=O)(Nc1cc(Cl)nc2c(C(F)(F)F)cnn12)c1cccnc1.
What is the InChIKey of N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
The InChIKey is GJVSMXXTSSOLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O3S.C12H7ClF3N5O2S/c17-16(18,19)11-9-21-24-14(23-28(25,26)10-3-1-5-20-8-10)7-12(22-15(11)24)13-4-2-6-27-13;13-9-4-10(20-24(22,23)7-2-1-3-17-5-7)21-11(19-9)8(6-18-21)12(14,15)16/h1-9,23H;1-6,20H.
What are the key properties of N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide?
N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide has a molecular weight of 787.08 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158277975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).