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

C21H24F3N9O — CID 85471889

IUPAC2-amino-N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnncc1N1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C21H24F3N9O/c22-14-7-26-19-17(18(25)30-33(19)11-14)20(34)29-15-8-27-28-9-16(15)32-4-1-13(2-5-32)10-31-6-3-21(23,24)12-31/h7-9,11,13H,1-6,10,12H2,(H2,25,30)(H,28,29,34)
InChIKeyJGTJHQPYOADWKL-UHFFFAOYSA-N
MW475.48 g/mol
LogP2.05
Rot. Bonds5

About 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

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 (PubChem CID 85471889) has the molecular formula C21H24F3N9O and a molecular weight of 475.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-amino-N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID85471889
Molecular FormulaC21H24F3N9O
Molecular Weight475.48 g/mol
Exact Mass475.21
IUPAC Name2-amino-N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnncc1N1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C21H24F3N9O/c22-14-7-26-19-17(18(25)30-33(19)11-14)20(34)29-15-8-27-28-9-16(15)32-4-1-13(2-5-32)10-31-6-3-21(23,24)12-31/h7-9,11,13H,1-6,10,12H2,(H2,25,30)(H,28,29,34)
InChIKeyJGTJHQPYOADWKL-UHFFFAOYSA-N
XLogP2.05
TPSA117.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123709930
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-[3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448292
2-amino-N-[5-[3-(3,3-difluoroazetidine-1-carbonyl)hexylamino]pyridazin-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90446884
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-[4-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199450
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-(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-(1-hydroxyethyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnncc1N1CCC(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of 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?
The InChIKey is JGTJHQPYOADWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N9O/c22-14-7-26-19-17(18(25)30-33(19)11-14)20(34)29-15-8-27-28-9-16(15)32-4-1-13(2-5-32)10-31-6-3-21(23,24)12-31/h7-9,11,13H,1-6,10,12H2,(H2,25,30)(H,28,29,34).
What are the key properties of 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?
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 has a molecular weight of 475.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 85471889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).