N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C20H23FN6O2S — CID 139023647

IUPACN-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1
InChIInChI=1S/C20H23FN6O2S/c1-13-19(14(2)25(3)24-13)30(28,29)26(4)16-10-27(11-16)20-17(21)18(22-12-23-20)15-8-6-5-7-9-15/h5-9,12,16H,10-11H2,1-4H3
InChIKeyDZXSGCXDAZPTMJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.14
Rot. Bonds5

About N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 139023647) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID139023647
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC NameN-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1
InChIInChI=1S/C20H23FN6O2S/c1-13-19(14(2)25(3)24-13)30(28,29)26(4)16-10-27(11-16)20-17(21)18(22-12-23-20)15-8-6-5-7-9-15/h5-9,12,16H,10-11H2,1-4H3
InChIKeyDZXSGCXDAZPTMJ-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 139023647) is N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1.
What is the InChIKey of N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is DZXSGCXDAZPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c1-13-19(14(2)25(3)24-13)30(28,29)26(4)16-10-27(11-16)20-17(21)18(22-12-23-20)15-8-6-5-7-9-15/h5-9,12,16H,10-11H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 430.51 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-6-phenylpyrimidin-4-yl)azetidin-3-yl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 139023647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).