2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24F3N9O2 — CID 90446884

IUPAC2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC(CCNc1cnncc1NC(=O)c1c(N)nn2cc(F)cnc12)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C21H24F3N9O2/c1-2-3-12(20(35)32-10-21(23,24)11-32)4-5-26-14-7-28-29-8-15(14)30-19(34)16-17(25)31-33-9-13(22)6-27-18(16)33/h6-9,12H,2-5,10-11H2,1H3,(H2,25,31)(H,26,29)(H,28,30,34)
InChIKeyIMWCAJFVCKEVRZ-UHFFFAOYSA-N
MW491.48 g/mol
LogP2.19
Rot. Bonds9

About 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90446884) has the molecular formula C21H24F3N9O2 and a molecular weight of 491.48 g/mol. Its IUPAC name is 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90446884
Molecular FormulaC21H24F3N9O2
Molecular Weight491.48 g/mol
Exact Mass491.20
IUPAC Name2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCC(CCNc1cnncc1NC(=O)c1c(N)nn2cc(F)cnc12)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C21H24F3N9O2/c1-2-3-12(20(35)32-10-21(23,24)11-32)4-5-26-14-7-28-29-8-15(14)30-19(34)16-17(25)31-33-9-13(22)6-27-18(16)33/h6-9,12H,2-5,10-11H2,1H3,(H2,25,31)(H,26,29)(H,28,30,34)
InChIKeyIMWCAJFVCKEVRZ-UHFFFAOYSA-N
XLogP2.19
TPSA143.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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-6-fluoro-N-[5-(4-methylsulfonylpiperidin-1-yl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85472427
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-6-fluoro-N-[5-fluoro-4-(3-methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118570035
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-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-6-fluoro-N-[4-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200159
2-amino-6-fluoro-N-[4-(2-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199118
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-[4-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199887
2-amino-6-fluoro-N-(3-methyl-4-phenyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85472924

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90446884) is 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCC(CCNc1cnncc1NC(=O)c1c(N)nn2cc(F)cnc12)C(=O)N1CC(F)(F)C1.
What is the InChIKey of 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IMWCAJFVCKEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N9O2/c1-2-3-12(20(35)32-10-21(23,24)11-32)4-5-26-14-7-28-29-8-15(14)30-19(34)16-17(25)31-33-9-13(22)6-27-18(16)33/h6-9,12H,2-5,10-11H2,1H3,(H2,25,31)(H,26,29)(H,28,30,34).
What are the key properties of 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 491.48 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90446884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).