4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide

C120H123N35O9 — CID 159684280

About 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide

4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide (PubChem CID 159684280) has the molecular formula C120H123N35O9 and a molecular weight of 2199.54 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide
• PubChem CID: 159684280
• Molecular Formula: C120H123N35O9
• Molecular Weight: 2199.54 g/mol
• Exact Mass: 2198.02
• IUPAC Name: 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide
• SMILES: C=CC(=O)N1CCC(C(=O)NCc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)CC1.CC#CC(=O)N1CCC[C@H]1C(=O)NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.CCCC(=O)Nc1ccc(C(=O)NCCc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)cc1.CN(C)C/C=C/C(=O)N1CCC[C@H]1C(=O)NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)C1CCCC1
• InChI: InChI=1S/C26H30N8O2.C26H25N7O2.C24H23N7O2.C23H23N7O2.C21H22N6O/c1-32(2)14-5-8-24(35)33-15-4-7-23(33)26(36)28-12-9-18-16-20-19(10-13-27-25(20)31-18)21-17-30-34-22(21)6-3-11-29-34;1-2-4-24(34)31-18-8-6-17(7-9-18)26(35)28-13-10-19-15-21-20(11-14-27-25(21)32-19)22-16-30-33-23(22)5-3-12-29-33;1-2-5-22(32)30-13-4-7-21(30)24(33)26-11-8-16-14-18-17(9-12-25-23(18)29-16)19-15-28-31-20(19)6-3-10-27-31;1-2-21(31)29-10-6-15(7-11-29)23(32)25-13-16-12-18-17(5-9-24-22(18)28-16)19-14-27-30-20(19)4-3-8-26-30;28-21(14-4-1-2-5-14)23-10-7-15-12-17-16(8-11-22-20(17)26-15)18-13-25-27-19(18)6-3-9-24-27/h3,5-6,8,10-11,13,16-17,23H,4,7,9,12,14-15H2,1-2H3,(H,27,31)(H,28,36);3,5-9,11-12,14-16H,2,4,10,13H2,1H3,(H,27,32)(H,28,35)(H,31,34);3,6,9-10,12,14-15,21H,4,7-8,11,13H2,1H3,(H,25,29)(H,26,33);2-5,8-9,12,14-15H,1,6-7,10-11,13H2,(H,24,28)(H,25,32);3,6,8-9,11-14H,1-2,4-5,7,10H2,(H,22,26)(H,23,28)/b8-5+;;;;/t23-;;21-;;/m0.0../s1
• InChIKey: MVOYIDHIQOUSRO-LXRCONBZSA-N
• XLogP: 13.40
• TPSA: 533.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.54
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide?

The IUPAC name of 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide (CID 159684280) is 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide.

What is the SMILES notation for 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide?

The canonical SMILES for 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide is C=CC(=O)N1CCC(C(=O)NCc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)CC1.CC#CC(=O)N1CCC[C@H]1C(=O)NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.CCCC(=O)Nc1ccc(C(=O)NCCc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)cc1.CN(C)C/C=C/C(=O)N1CCC[C@H]1C(=O)NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)C1CCCC1.

What is the InChIKey of 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide?

The InChIKey is MVOYIDHIQOUSRO-LXRCONBZSA-N. The full InChI is InChI=1S/C26H30N8O2.C26H25N7O2.C24H23N7O2.C23H23N7O2.C21H22N6O/c1-32(2)14-5-8-24(35)33-15-4-7-23(33)26(36)28-12-9-18-16-20-19(10-13-27-25(20)31-18)21-17-30-34-22(21)6-3-11-29-34;1-2-4-24(34)31-18-8-6-17(7-9-18)26(35)28-13-10-19-15-21-20(11-14-27-25(21)32-19)22-16-30-33-23(22)5-3-12-29-33;1-2-5-22(32)30-13-4-7-21(30)24(33)26-11-8-16-14-18-17(9-12-25-23(18)29-16)19-15-28-31-20(19)6-3-10-27-31;1-2-21(31)29-10-6-15(7-11-29)23(32)25-13-16-12-18-17(5-9-24-22(18)28-16)19-14-27-30-20(19)4-3-8-26-30;28-21(14-4-1-2-5-14)23-10-7-15-12-17-16(8-11-22-20(17)26-15)18-13-25-27-19(18)6-3-9-24-27/h3,5-6,8,10-11,13,16-17,23H,4,7,9,12,14-15H2,1-2H3,(H,27,31)(H,28,36);3,5-9,11-12,14-16H,2,4,10,13H2,1H3,(H,27,32)(H,28,35)(H,31,34);3,6,9-10,12,14-15,21H,4,7-8,11,13H2,1H3,(H,25,29)(H,26,33);2-5,8-9,12,14-15H,1,6-7,10-11,13H2,(H,24,28)(H,25,32);3,6,8-9,11-14H,1-2,4-5,7,10H2,(H,22,26)(H,23,28)/b8-5+;;;;/t23-;;21-;;/m0.0../s1.

What are the key properties of 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide?

4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 2199.54 g/mol, XLogP of 13.40, 31 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(butanoylamino)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;(2S)-1-but-2-ynoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide;1-prop-2-enoyl-N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidine-4-carboxamide;N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 159684280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).