5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide

C15H15FN6O2S2 — CID 58169267

IUPAC5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H15FN6O2S2/c1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8/h4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22)
InChIKeySYRTXQMRVQVHTK-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.60
Rot. Bonds6

About 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 58169267) has the molecular formula C15H15FN6O2S2 and a molecular weight of 394.46 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide
PubChem CID58169267
Molecular FormulaC15H15FN6O2S2
Molecular Weight394.46 g/mol
Exact Mass394.07
IUPAC Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H15FN6O2S2/c1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8/h4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22)
InChIKeySYRTXQMRVQVHTK-UHFFFAOYSA-N
XLogP2.60
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide (CID 58169267) is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide is CNS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is SYRTXQMRVQVHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2S2/c1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8/h4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide?
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 58169267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).