N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C92H82F3N33O4 — CID 159368723

About N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 159368723) has the molecular formula C92H82F3N33O4 and a molecular weight of 1770.89 g/mol. Its IUPAC name is N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
• PubChem CID: 159368723
• Molecular Formula: C92H82F3N33O4
• Molecular Weight: 1770.89 g/mol
• Exact Mass: 1769.72
• IUPAC Name: N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
• SMILES: C#Cc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1.CN(C)CC(O)COc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1.CN1CCN(c2ccc(Nc3nccc(-c4cnn5ncccc45)n3)cc2C(F)(F)F)CC1.c1cnn2ncc(-c3ccnc(NC4CC4)n3)c2c1.c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c2c1
• InChI: InChI=1S/C22H21F3N8.C21H23N7O2.C18H14N6O2.C18H12N6.C13H12N6/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33;1-27(2)13-16(29)14-30-17-7-5-15(6-8-17)25-21-22-11-9-19(26-21)18-12-24-28-20(18)4-3-10-23-28;1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16;1-2-13-5-3-6-14(11-13)22-18-19-10-8-16(23-18)15-12-21-24-17(15)7-4-9-20-24;1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h2-8,13-14H,9-12H2,1H3,(H,26,29,30);3-12,16,29H,13-14H2,1-2H3,(H,22,25,26);1-7,10-11H,8-9H2,(H,19,22,23);1,3-12H,(H,19,22,23);1-2,5-9H,3-4H2,(H,14,17,18)
• InChIKey: LJLPXIGAXXTNJB-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 397.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1770.89
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?

The IUPAC name of N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 159368723) is N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

What is the SMILES notation for N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?

The canonical SMILES for N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is C#Cc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1.CN(C)CC(O)COc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1.CN1CCN(c2ccc(Nc3nccc(-c4cnn5ncccc45)n3)cc2C(F)(F)F)CC1.c1cnn2ncc(-c3ccnc(NC4CC4)n3)c2c1.c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c2c1.

What is the InChIKey of N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?

The InChIKey is LJLPXIGAXXTNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8.C21H23N7O2.C18H14N6O2.C18H12N6.C13H12N6/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33;1-27(2)13-16(29)14-30-17-7-5-15(6-8-17)25-21-22-11-9-19(26-21)18-12-24-28-20(18)4-3-10-23-28;1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16;1-2-13-5-3-6-14(11-13)22-18-19-10-8-16(23-18)15-12-21-24-17(15)7-4-9-20-24;1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h2-8,13-14H,9-12H2,1H3,(H,26,29,30);3-12,16,29H,13-14H2,1-2H3,(H,22,25,26);1-7,10-11H,8-9H2,(H,19,22,23);1,3-12H,(H,19,22,23);1-2,5-9H,3-4H2,(H,14,17,18).

What are the key properties of N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?

N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 1770.89 g/mol, XLogP of 13.30, 21 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;1-(dimethylamino)-3-[4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]phenoxy]propan-2-ol;N-(3-ethynylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine;N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 159368723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).