2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19FN8O3S — CID 85472427

IUPAC2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)C1CCN(c2cnncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C17H19FN8O3S/c1-30(28,29)11-2-4-25(5-3-11)13-8-22-21-7-12(13)23-17(27)14-15(19)24-26-9-10(18)6-20-16(14)26/h6-9,11H,2-5H2,1H3,(H2,19,24)(H,22,23,27)
InChIKeyHHWOBGOFGFLGRI-UHFFFAOYSA-N
MW434.46 g/mol
LogP0.51
Rot. Bonds4

About 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 85472427) has the molecular formula C17H19FN8O3S and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85472427
Molecular FormulaC17H19FN8O3S
Molecular Weight434.46 g/mol
Exact Mass434.13
IUPAC Name2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)C1CCN(c2cnncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1
InChIInChI=1S/C17H19FN8O3S/c1-30(28,29)11-2-4-25(5-3-11)13-8-22-21-7-12(13)23-17(27)14-15(19)24-26-9-10(18)6-20-16(14)26/h6-9,11H,2-5H2,1H3,(H2,19,24)(H,22,23,27)
InChIKeyHHWOBGOFGFLGRI-UHFFFAOYSA-N
XLogP0.51
TPSA148.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-amino-6-fluoro-N-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85472291
2-amino-N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85471889
2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199393
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-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199894
2-amino-6-fluoro-N-[4-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200157
2-amino-6-fluoro-N-[3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448292
N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199012
N-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199013
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-[4-[1-(1-hydroxyethyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340082
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 85472427) is 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)C1CCN(c2cnncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HHWOBGOFGFLGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN8O3S/c1-30(28,29)11-2-4-25(5-3-11)13-8-22-21-7-12(13)23-17(27)14-15(19)24-26-9-10(18)6-20-16(14)26/h6-9,11H,2-5H2,1H3,(H2,19,24)(H,22,23,27).
What are the key properties of 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 85472427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).