tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine

C152H182BBrCl2F3IN26O20 — CID 160589011

IUPACtert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine
SMILESCC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.CN(C)Cc1nc(N)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.Fc1ccn2c(I)cnc2c1
InChIInChI=1S/C33H37FN6O4.C32H45BN4O6.C28H29FN6O2.C26H33ClN4O4.C13H13BrClNO3.C13H21N3O.C7H4FIN2/c1-33(2,3)44-32(42)40-18-24-23(27-17-35-29-16-21(34)10-13-39(27)29)6-8-25(30(24)31(40)41)36-28-9-7-22(20-11-14-43-15-12-20)26(37-28)19-38(4)5;1-30(2,3)41-29(39)37-18-22-23(33-42-31(4,5)32(6,7)43-33)11-12-24(27(22)28(37)38)34-26-13-10-21(20-14-16-40-17-15-20)25(35-26)19-36(8)9;1-34(2)16-23-19(17-8-11-37-12-9-17)4-6-25(33-23)32-22-5-3-20(21-14-31-28(36)27(21)22)24-15-30-26-13-18(29)7-10-35(24)26;1-26(2,3)35-25(33)31-14-18-19(27)7-8-20(23(18)24(31)32)28-22-9-6-17(16-10-12-34-13-11-16)21(29-22)15-30(4)5;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;1-16(2)9-12-11(3-4-13(14)15-12)10-5-7-17-8-6-10;8-5-1-2-11-6(9)4-10-7(11)3-5/h6-10,13,16-17,20H,11-12,14-15,18-19H2,1-5H3,(H,36,37);10-13,20H,14-19H2,1-9H3,(H,34,35);3-7,10,13,15,17H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33);6-9,16H,10-15H2,1-5H3,(H,28,29);4-5H,6H2,1-3H3;3-4,10H,5-9H2,1-2H3,(H2,14,15);1-4H
InChIKeyRCTMGRSEEDDRKC-UHFFFAOYSA-N
MW3038.81 g/mol
LogP28.59
Rot. Bonds26

About tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine

tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine (PubChem CID 160589011) has the molecular formula C152H182BBrCl2F3IN26O20 and a molecular weight of 3038.81 g/mol. Its IUPAC name is tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nametert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine
PubChem CID160589011
Molecular FormulaC152H182BBrCl2F3IN26O20
Molecular Weight3038.81 g/mol
Exact Mass3035.17
IUPAC Nametert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine
SMILESCC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.CN(C)Cc1nc(N)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.Fc1ccn2c(I)cnc2c1
InChIInChI=1S/C33H37FN6O4.C32H45BN4O6.C28H29FN6O2.C26H33ClN4O4.C13H13BrClNO3.C13H21N3O.C7H4FIN2/c1-33(2,3)44-32(42)40-18-24-23(27-17-35-29-16-21(34)10-13-39(27)29)6-8-25(30(24)31(40)41)36-28-9-7-22(20-11-14-43-15-12-20)26(37-28)19-38(4)5;1-30(2,3)41-29(39)37-18-22-23(33-42-31(4,5)32(6,7)43-33)11-12-24(27(22)28(37)38)34-26-13-10-21(20-14-16-40-17-15-20)25(35-26)19-36(8)9;1-34(2)16-23-19(17-8-11-37-12-9-17)4-6-25(33-23)32-22-5-3-20(21-14-31-28(36)27(21)22)24-15-30-26-13-18(29)7-10-35(24)26;1-26(2,3)35-25(33)31-14-18-19(27)7-8-20(23(18)24(31)32)28-22-9-6-17(16-10-12-34-13-11-16)21(29-22)15-30(4)5;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;1-16(2)9-12-11(3-4-13(14)15-12)10-5-7-17-8-6-10;8-5-1-2-11-6(9)4-10-7(11)3-5/h6-10,13,16-17,20H,11-12,14-15,18-19H2,1-5H3,(H,36,37);10-13,20H,14-19H2,1-9H3,(H,34,35);3-7,10,13,15,17H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33);6-9,16H,10-15H2,1-5H3,(H,28,29);4-5H,6H2,1-3H3;3-4,10H,5-9H2,1-2H3,(H2,14,15);1-4H
InChIKeyRCTMGRSEEDDRKC-UHFFFAOYSA-N
XLogP28.59
TPSA486.84 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003038.81
LogP ≤ 528.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine?
The IUPAC name of tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine (CID 160589011) is tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.CN(C)Cc1nc(N)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.CN(C)Cc1nc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOCC1.Fc1ccn2c(I)cnc2c1.
What is the InChIKey of tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine?
The InChIKey is RCTMGRSEEDDRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN6O4.C32H45BN4O6.C28H29FN6O2.C26H33ClN4O4.C13H13BrClNO3.C13H21N3O.C7H4FIN2/c1-33(2,3)44-32(42)40-18-24-23(27-17-35-29-16-21(34)10-13-39(27)29)6-8-25(30(24)31(40)41)36-28-9-7-22(20-11-14-43-15-12-20)26(37-28)19-38(4)5;1-30(2,3)41-29(39)37-18-22-23(33-42-31(4,5)32(6,7)43-33)11-12-24(27(22)28(37)38)34-26-13-10-21(20-14-16-40-17-15-20)25(35-26)19-36(8)9;1-34(2)16-23-19(17-8-11-37-12-9-17)4-6-25(33-23)32-22-5-3-20(21-14-31-28(36)27(21)22)24-15-30-26-13-18(29)7-10-35(24)26;1-26(2,3)35-25(33)31-14-18-19(27)7-8-20(23(18)24(31)32)28-22-9-6-17(16-10-12-34-13-11-16)21(29-22)15-30(4)5;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;1-16(2)9-12-11(3-4-13(14)15-12)10-5-7-17-8-6-10;8-5-1-2-11-6(9)4-10-7(11)3-5/h6-10,13,16-17,20H,11-12,14-15,18-19H2,1-5H3,(H,36,37);10-13,20H,14-19H2,1-9H3,(H,34,35);3-7,10,13,15,17H,8-9,11-12,14,16H2,1-2H3,(H,31,36)(H,32,33);6-9,16H,10-15H2,1-5H3,(H,28,29);4-5H,6H2,1-3H3;3-4,10H,5-9H2,1-2H3,(H2,14,15);1-4H.
What are the key properties of tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine?
tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine has a molecular weight of 3038.81 g/mol, XLogP of 28.59, 26 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxan-4-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 160589011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).