6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione

C79H78F3N17O6 — CID 163656172

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESFc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.O=C1CCC(N2Cc3cc(CC4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccc(NC4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C40H39FN8O3.C21H17F2N5.C18H22N4O3/c41-29-5-1-4-27(22-29)32-7-3-17-47(32)37-13-12-35-42-23-34(49(35)45-37)31-6-2-8-36(43-31)46-18-15-25(16-19-46)20-26-9-10-30-28(21-26)24-48(40(30)52)33-11-14-38(50)44-39(33)51;22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;23-16-4-3-15(17(24)21-16)22-10-11-1-2-13(9-14(11)18(22)25)20-12-5-7-19-8-6-12/h1-2,4-6,8-10,12-13,21-23,25,32-33H,3,7,11,14-20,24H2,(H,44,50,51);1-2,4-6,8-10,12-13,17H,3,7,11H2;1-2,9,12,15,19-20H,3-8,10H2,(H,21,23,24)/t32-,33?;17-;/m11./s1
InChIKeyIQKNQGBKXQOYND-GXMIFTNMSA-N
MW1418.60 g/mol
LogP10.51
Rot. Bonds13

About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 163656172) has the molecular formula C79H78F3N17O6 and a molecular weight of 1418.60 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID163656172
Molecular FormulaC79H78F3N17O6
Molecular Weight1418.60 g/mol
Exact Mass1417.63
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESFc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.O=C1CCC(N2Cc3cc(CC4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccc(NC4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C40H39FN8O3.C21H17F2N5.C18H22N4O3/c41-29-5-1-4-27(22-29)32-7-3-17-47(32)37-13-12-35-42-23-34(49(35)45-37)31-6-2-8-36(43-31)46-18-15-25(16-19-46)20-26-9-10-30-28(21-26)24-48(40(30)52)33-11-14-38(50)44-39(33)51;22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;23-16-4-3-15(17(24)21-16)22-10-11-1-2-13(9-14(11)18(22)25)20-12-5-7-19-8-6-12/h1-2,4-6,8-10,12-13,21-23,25,32-33H,3,7,11,14-20,24H2,(H,44,50,51);1-2,4-6,8-10,12-13,17H,3,7,11H2;1-2,9,12,15,19-20H,3-8,10H2,(H,21,23,24)/t32-,33?;17-;/m11./s1
InChIKeyIQKNQGBKXQOYND-GXMIFTNMSA-N
XLogP10.51
TPSA252.90 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.60
LogP ≤ 510.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 163656172) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione is Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.O=C1CCC(N2Cc3cc(CC4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3ccc(NC4CCNCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is IQKNQGBKXQOYND-GXMIFTNMSA-N. The full InChI is InChI=1S/C40H39FN8O3.C21H17F2N5.C18H22N4O3/c41-29-5-1-4-27(22-29)32-7-3-17-47(32)37-13-12-35-42-23-34(49(35)45-37)31-6-2-8-36(43-31)46-18-15-25(16-19-46)20-26-9-10-30-28(21-26)24-48(40(30)52)33-11-14-38(50)44-39(33)51;22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;23-16-4-3-15(17(24)21-16)22-10-11-1-2-13(9-14(11)18(22)25)20-12-5-7-19-8-6-12/h1-2,4-6,8-10,12-13,21-23,25,32-33H,3,7,11,14-20,24H2,(H,44,50,51);1-2,4-6,8-10,12-13,17H,3,7,11H2;1-2,9,12,15,19-20H,3-8,10H2,(H,21,23,24)/t32-,33?;17-;/m11./s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 1418.60 g/mol, XLogP of 10.51, 13 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[6-[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-5-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 163656172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).