2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22F2N8O3S — CID 90199393

IUPAC2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)S(=O)(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C19H22F2N8O3S/c1-27(2)33(31,32)12-3-5-28(6-4-12)16-13(21)8-23-9-14(16)25-19(30)15-17(22)26-29-10-11(20)7-24-18(15)29/h7-10,12H,3-6H2,1-2H3,(H2,22,26)(H,25,30)
InChIKeyLZDFPEJNGBQRSD-UHFFFAOYSA-N
MW480.50 g/mol
LogP1.10
Rot. Bonds5

About 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199393) has the molecular formula C19H22F2N8O3S and a molecular weight of 480.50 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199393
Molecular FormulaC19H22F2N8O3S
Molecular Weight480.50 g/mol
Exact Mass480.15
IUPAC Name2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)S(=O)(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C19H22F2N8O3S/c1-27(2)33(31,32)12-3-5-28(6-4-12)16-13(21)8-23-9-14(16)25-19(30)15-17(22)26-29-10-11(20)7-24-18(15)29/h7-10,12H,3-6H2,1-2H3,(H2,22,26)(H,25,30)
InChIKeyLZDFPEJNGBQRSD-UHFFFAOYSA-N
XLogP1.10
TPSA138.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199342
2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123709930
2-amino-6-fluoro-N-[5-fluoro-4-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199563
2-amino-N-[4-[4-(1-ethylpyrrolidine-2-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199658
2-amino-6-fluoro-N-[5-fluoro-4-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199597
2-amino-6-fluoro-N-[5-fluoro-4-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199878
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199371
2-amino-N-[4-[4-[4-(azetidin-1-yl)piperidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199659
2-amino-6-fluoro-N-[5-methyl-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199548
2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85472427
2-amino-6-chloro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200036
2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200113

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199393) is 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)S(=O)(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.
What is the InChIKey of 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LZDFPEJNGBQRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N8O3S/c1-27(2)33(31,32)12-3-5-28(6-4-12)16-13(21)8-23-9-14(16)25-19(30)15-17(22)26-29-10-11(20)7-24-18(15)29/h7-10,12H,3-6H2,1-2H3,(H2,22,26)(H,25,30).
What are the key properties of 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).