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-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C83H88F6N36O5 — CID 162133782

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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)C2CCN(c3cnncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.CN1CCN(Cc2ccc(-c3cnncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1.Cc1ncccc1-c1cnncc1NC(=O)c1c(N)nn2cc(F)cnc12.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnncc1N1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C23H24FN9O.C22H27FN10O2.C21H24F3N9O.C17H13FN8O/c1-31-6-8-32(9-7-31)13-15-2-4-16(5-3-15)18-11-27-28-12-19(18)29-23(34)20-21(25)30-33-14-17(24)10-26-22(20)33;1-30-6-8-32(9-7-30)22(35)14-2-4-31(5-3-14)17-12-27-26-11-16(17)28-21(34)18-19(24)29-33-13-15(23)10-25-20(18)33;22-14-7-26-19-17(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;1-9-11(3-2-4-20-9)12-6-22-23-7-13(12)24-17(27)14-15(19)25-26-8-10(18)5-21-16(14)26/h2-5,10-12,14H,6-9,13H2,1H3,(H2,25,30)(H,27,29,34);10-14H,2-9H2,1H3,(H2,24,29)(H,27,28,34);7-9,11,13H,1-6,10,12H2,(H2,25,30)(H,28,29,34);2-8H,1H3,(H2,19,25)(H,22,24,27)
InChIKeyZIZRCLGWWBTSSJ-UHFFFAOYSA-N
MW1783.85 g/mol
LogP6.30
Rot. Bonds17

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-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162133782) has the molecular formula C83H88F6N36O5 and a molecular weight of 1783.85 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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162133782
Molecular FormulaC83H88F6N36O5
Molecular Weight1783.85 g/mol
Exact Mass1782.76
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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)C2CCN(c3cnncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.CN1CCN(Cc2ccc(-c3cnncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1.Cc1ncccc1-c1cnncc1NC(=O)c1c(N)nn2cc(F)cnc12.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnncc1N1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C23H24FN9O.C22H27FN10O2.C21H24F3N9O.C17H13FN8O/c1-31-6-8-32(9-7-31)13-15-2-4-16(5-3-15)18-11-27-28-12-19(18)29-23(34)20-21(25)30-33-14-17(24)10-26-22(20)33;1-30-6-8-32(9-7-30)22(35)14-2-4-31(5-3-14)17-12-27-26-11-16(17)28-21(34)18-19(24)29-33-13-15(23)10-25-20(18)33;22-14-7-26-19-17(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;1-9-11(3-2-4-20-9)12-6-22-23-7-13(12)24-17(27)14-15(19)25-26-8-10(18)5-21-16(14)26/h2-5,10-12,14H,6-9,13H2,1H3,(H2,25,30)(H,27,29,34);10-14H,2-9H2,1H3,(H2,24,29)(H,27,28,34);7-9,11,13H,1-6,10,12H2,(H2,25,30)(H,28,29,34);2-8H,1H3,(H2,19,25)(H,22,24,27)
InChIKeyZIZRCLGWWBTSSJ-UHFFFAOYSA-N
XLogP6.30
TPSA497.00 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.85
LogP ≤ 56.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241387
N-[6-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 90241919
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241973
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90248127
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(1-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538666
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-1-(pyridin-4-yl)piperidine-4-carboxamide
CID 118538702
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1 isonicotinoylpiperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538711
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1-(1-(pyridin-4-ylcarbamoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538771
N-(6-(1-(1-((1H-pyrazol-5-yl)methyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118539006
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-((1-methylpiperidin-4-yl)methyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-6]pyridazin-2-yl)isonicotinamide
CID 118547765
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 119098962
N-{3-[7-(1-{1-[(1-Methyl-1H-pyrazol-4-yl)carbonyl]piperidin-4-yl}-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl}-N'-(2,2,2-trifluoroethyl)urea
CID 57387664

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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162133782) 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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(C(=O)C2CCN(c3cnncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.CN1CCN(Cc2ccc(-c3cnncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1.Cc1ncccc1-c1cnncc1NC(=O)c1c(N)nn2cc(F)cnc12.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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZIZRCLGWWBTSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN9O.C22H27FN10O2.C21H24F3N9O.C17H13FN8O/c1-31-6-8-32(9-7-31)13-15-2-4-16(5-3-15)18-11-27-28-12-19(18)29-23(34)20-21(25)30-33-14-17(24)10-26-22(20)33;1-30-6-8-32(9-7-30)22(35)14-2-4-31(5-3-14)17-12-27-26-11-16(17)28-21(34)18-19(24)29-33-13-15(23)10-25-20(18)33;22-14-7-26-19-17(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;1-9-11(3-2-4-20-9)12-6-22-23-7-13(12)24-17(27)14-15(19)25-26-8-10(18)5-21-16(14)26/h2-5,10-12,14H,6-9,13H2,1H3,(H2,25,30)(H,27,29,34);10-14H,2-9H2,1H3,(H2,24,29)(H,27,28,34);7-9,11,13H,1-6,10,12H2,(H2,25,30)(H,28,29,34);2-8H,1H3,(H2,19,25)(H,22,24,27).
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-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1783.85 g/mol, XLogP of 6.30, 17 rotatable bonds, 8 hydrogen bond donors, and 36 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;2-amino-6-fluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-(2-methyl-3-pyridinyl)pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162133782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).