tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one

C139H144N40O8 — CID 157078621

IUPACtert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC2(CCCN(Cc3cc4c(-c5cnn6ncccc56)ccnc4[nH]3)C2)C1.C=CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)CC1.C=CC(=O)NCC1CCN(Cc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)C1.CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)CC1.CCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.CN(C)C/C=C/C(=O)Nc1cccc(C(=O)NCCc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)c1
InChIInChI=1S/C28H28N8O2.C26H27N7O2.C25H27N7O.C23H26N6O2.C22H23N7O.C15H13N5/c1-35(2)15-5-9-26(37)33-20-7-3-6-19(16-20)28(38)30-13-10-21-17-23-22(11-14-29-27(23)34-21)24-18-32-36-25(24)8-4-12-31-36;1-2-24(34)32-12-4-6-23(32)26(35)31-13-8-17(9-14-31)21-15-19-18(7-11-27-25(19)30-21)20-16-29-33-22(20)5-3-10-28-33;1-2-23(33)31-12-8-25(17-31)7-4-11-30(16-25)15-18-13-20-19(6-10-26-24(20)29-18)21-14-28-32-22(21)5-3-9-27-32;1-23(2,3)31-22(30)28-11-7-15(8-12-28)19-13-17-16(6-10-24-21(17)27-19)18-14-26-29-20(18)5-4-9-25-29;1-2-21(30)24-11-15-6-9-28(13-15)14-16-10-18-17(5-8-23-22(18)27-16)19-12-26-29-20(19)4-3-7-25-29;1-2-10-8-12-11(5-7-16-15(12)19-10)13-9-18-20-14(13)4-3-6-17-20/h3-9,11-12,14,16-18H,10,13,15H2,1-2H3,(H,29,34)(H,30,38)(H,33,37);2-3,5,7,10-11,15-17,23H,1,4,6,8-9,12-14H2,(H,27,30);2-3,5-6,9-10,13-14H,1,4,7-8,11-12,15-17H2,(H,26,29);4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,24,27);2-5,7-8,10,12,15H,1,6,9,11,13-14H2,(H,23,27)(H,24,30);3-9H,2H2,1H3,(H,16,19)/b9-5+;;;;;/t;23-;;;;/m.1..../s1
InChIKeyADGPEEDWTKONAF-LMAJXYFSSA-N
MW2502.95 g/mol
LogP19.35
Rot. Bonds27

About tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one

tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 157078621) has the molecular formula C139H144N40O8 and a molecular weight of 2502.95 g/mol. Its IUPAC name is tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Nametert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID157078621
Molecular FormulaC139H144N40O8
Molecular Weight2502.95 g/mol
Exact Mass2501.21
IUPAC Nametert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC2(CCCN(Cc3cc4c(-c5cnn6ncccc56)ccnc4[nH]3)C2)C1.C=CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)CC1.C=CC(=O)NCC1CCN(Cc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)C1.CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)CC1.CCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.CN(C)C/C=C/C(=O)Nc1cccc(C(=O)NCCc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)c1
InChIInChI=1S/C28H28N8O2.C26H27N7O2.C25H27N7O.C23H26N6O2.C22H23N7O.C15H13N5/c1-35(2)15-5-9-26(37)33-20-7-3-6-19(16-20)28(38)30-13-10-21-17-23-22(11-14-29-27(23)34-21)24-18-32-36-25(24)8-4-12-31-36;1-2-24(34)32-12-4-6-23(32)26(35)31-13-8-17(9-14-31)21-15-19-18(7-11-27-25(19)30-21)20-16-29-33-22(20)5-3-10-28-33;1-2-23(33)31-12-8-25(17-31)7-4-11-30(16-25)15-18-13-20-19(6-10-26-24(20)29-18)21-14-28-32-22(21)5-3-9-27-32;1-23(2,3)31-22(30)28-11-7-15(8-12-28)19-13-17-16(6-10-24-21(17)27-19)18-14-26-29-20(18)5-4-9-25-29;1-2-21(30)24-11-15-6-9-28(13-15)14-16-10-18-17(5-8-23-22(18)27-16)19-12-26-29-20(19)4-3-7-25-29;1-2-10-8-12-11(5-7-16-15(12)19-10)13-9-18-20-14(13)4-3-6-17-20/h3-9,11-12,14,16-18H,10,13,15H2,1-2H3,(H,29,34)(H,30,38)(H,33,37);2-3,5,7,10-11,15-17,23H,1,4,6,8-9,12-14H2,(H,27,30);2-3,5-6,9-10,13-14H,1,4,7-8,11-12,15-17H2,(H,26,29);4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,24,27);2-5,7-8,10,12,15H,1,6,9,11,13-14H2,(H,23,27)(H,24,30);3-9H,2H2,1H3,(H,16,19)/b9-5+;;;;;/t;23-;;;;/m.1..../s1
InChIKeyADGPEEDWTKONAF-LMAJXYFSSA-N
XLogP19.35
TPSA540.71 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002502.95
LogP ≤ 519.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one (CID 157078621) is tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC2(CCCN(Cc3cc4c(-c5cnn6ncccc56)ccnc4[nH]3)C2)C1.C=CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)CC1.C=CC(=O)NCC1CCN(Cc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)C1.CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)CC1.CCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.CN(C)C/C=C/C(=O)Nc1cccc(C(=O)NCCc2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)c1.
What is the InChIKey of tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is ADGPEEDWTKONAF-LMAJXYFSSA-N. The full InChI is InChI=1S/C28H28N8O2.C26H27N7O2.C25H27N7O.C23H26N6O2.C22H23N7O.C15H13N5/c1-35(2)15-5-9-26(37)33-20-7-3-6-19(16-20)28(38)30-13-10-21-17-23-22(11-14-29-27(23)34-21)24-18-32-36-25(24)8-4-12-31-36;1-2-24(34)32-12-4-6-23(32)26(35)31-13-8-17(9-14-31)21-15-19-18(7-11-27-25(19)30-21)20-16-29-33-22(20)5-3-10-28-33;1-2-23(33)31-12-8-25(17-31)7-4-11-30(16-25)15-18-13-20-19(6-10-26-24(20)29-18)21-14-28-32-22(21)5-3-9-27-32;1-23(2,3)31-22(30)28-11-7-15(8-12-28)19-13-17-16(6-10-24-21(17)27-19)18-14-26-29-20(18)5-4-9-25-29;1-2-21(30)24-11-15-6-9-28(13-15)14-16-10-18-17(5-8-23-22(18)27-16)19-12-26-29-20(19)4-3-7-25-29;1-2-10-8-12-11(5-7-16-15(12)19-10)13-9-18-20-14(13)4-3-6-17-20/h3-9,11-12,14,16-18H,10,13,15H2,1-2H3,(H,29,34)(H,30,38)(H,33,37);2-3,5,7,10-11,15-17,23H,1,4,6,8-9,12-14H2,(H,27,30);2-3,5-6,9-10,13-14H,1,4,7-8,11-12,15-17H2,(H,26,29);4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,24,27);2-5,7-8,10,12,15H,1,6,9,11,13-14H2,(H,23,27)(H,24,30);3-9H,2H2,1H3,(H,16,19)/b9-5+;;;;;/t;23-;;;;/m.1..../s1.
What are the key properties of tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one?
tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 2502.95 g/mol, XLogP of 19.35, 27 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzamide;3-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;1-[9-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;N-[[1-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]pyrrolidin-3-yl]methyl]prop-2-enamide;1-[(2R)-2-[4-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 157078621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).