(6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane

C137H132BBr4F6IN20O25S4 — CID 160698942

IUPAC(6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane
SMILESC.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CC(C)(C)OC=O.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cc1.COc1ccc(CNc2ccc(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)cc34)c(F)n2)cc1.COc1ncc(F)cc1C=O.COc1ncc(F)cc1CCc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)c(F)n1.Nc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)c(F)n1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Br)cnc21
InChIInChI=1S/C27H19BrF2N4O4S.C27H20BrFN4O4S.C19H32BN3O4.C19H12BrFN4O3S.C19H21FN2O4.C13H8BrIN2O2S.C7H6FNO2.C5H10O2.CH4/c1-38-27-16(11-18(29)14-32-27)7-8-19-9-10-21(25(30)33-19)24(35)23-15-34(26-22(23)12-17(28)13-31-26)39(36,37)20-5-3-2-4-6-20;1-37-19-9-7-17(8-10-19)14-30-24-12-11-21(26(29)32-24)25(34)23-16-33(27-22(23)13-18(28)15-31-27)38(35,36)20-5-3-2-4-6-20;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;20-11-8-14-15(17(26)13-6-7-16(22)24-18(13)21)10-25(19(14)23-9-11)29(27,28)12-4-2-1-3-5-12;1-19(2,3)26-18(24)22(11-13-5-8-15(25-4)9-6-13)16-10-7-14(12-23)17(20)21-16;14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10;1-11-7-5(4-10)2-6(8)3-9-7;1-5(2,3)7-4-6;/h2-6,9-15H,7-8H2,1H3;2-13,15-16H,14H2,1H3,(H,30,32);12-13,15H,8-11H2,1-7H3;1-10H,(H2,22,24);5-10,12H,11H2,1-4H3;1-8H;2-4H,1H3;4H,1-3H3;1H4
InChIKeyRQIZLSVBDTXRJU-UHFFFAOYSA-N
MW3158.27 g/mol
LogP26.95
Rot. Bonds32

About (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane

(6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane (PubChem CID 160698942) has the molecular formula C137H132BBr4F6IN20O25S4 and a molecular weight of 3158.27 g/mol. Its IUPAC name is (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane.

Molecular Properties

Compound Name(6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane
PubChem CID160698942
Molecular FormulaC137H132BBr4F6IN20O25S4
Molecular Weight3158.27 g/mol
Exact Mass3152.43
IUPAC Name(6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane
SMILESC.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CC(C)(C)OC=O.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cc1.COc1ccc(CNc2ccc(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)cc34)c(F)n2)cc1.COc1ncc(F)cc1C=O.COc1ncc(F)cc1CCc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)c(F)n1.Nc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)c(F)n1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Br)cnc21
InChIInChI=1S/C27H19BrF2N4O4S.C27H20BrFN4O4S.C19H32BN3O4.C19H12BrFN4O3S.C19H21FN2O4.C13H8BrIN2O2S.C7H6FNO2.C5H10O2.CH4/c1-38-27-16(11-18(29)14-32-27)7-8-19-9-10-21(25(30)33-19)24(35)23-15-34(26-22(23)12-17(28)13-31-26)39(36,37)20-5-3-2-4-6-20;1-37-19-9-7-17(8-10-19)14-30-24-12-11-21(26(29)32-24)25(34)23-16-33(27-22(23)13-18(28)15-31-27)38(35,36)20-5-3-2-4-6-20;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;20-11-8-14-15(17(26)13-6-7-16(22)24-18(13)21)10-25(19(14)23-9-11)29(27,28)12-4-2-1-3-5-12;1-19(2,3)26-18(24)22(11-13-5-8-15(25-4)9-6-13)16-10-7-14(12-23)17(20)21-16;14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10;1-11-7-5(4-10)2-6(8)3-9-7;1-5(2,3)7-4-6;/h2-6,9-15H,7-8H2,1H3;2-13,15-16H,14H2,1H3,(H,30,32);12-13,15H,8-11H2,1-7H3;1-10H,(H2,22,24);5-10,12H,11H2,1-4H3;1-8H;2-4H,1H3;4H,1-3H3;1H4
InChIKeyRQIZLSVBDTXRJU-UHFFFAOYSA-N
XLogP26.95
TPSA567.16 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003158.27
LogP ≤ 526.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methanone;tert-butyl 4-[[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]amino]piperidine-1-carboxylate;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane
CID 157239782
tert-butyl 4-[4-[1-(benzenesulfonyl)-3-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyridine-3-carbonyl]pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;3-[[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 159465876

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane?
The IUPAC name of (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane (CID 160698942) is (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane.
What is the SMILES notation for (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane?
The canonical SMILES for (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane is C.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CC(C)(C)OC=O.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cc1.COc1ccc(CNc2ccc(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)cc34)c(F)n2)cc1.COc1ncc(F)cc1C=O.COc1ncc(F)cc1CCc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)c(F)n1.Nc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)c(F)n1.O=S(=O)(c1ccccc1)n1cc(I)c2cc(Br)cnc21.
What is the InChIKey of (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane?
The InChIKey is RQIZLSVBDTXRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrF2N4O4S.C27H20BrFN4O4S.C19H32BN3O4.C19H12BrFN4O3S.C19H21FN2O4.C13H8BrIN2O2S.C7H6FNO2.C5H10O2.CH4/c1-38-27-16(11-18(29)14-32-27)7-8-19-9-10-21(25(30)33-19)24(35)23-15-34(26-22(23)12-17(28)13-31-26)39(36,37)20-5-3-2-4-6-20;1-37-19-9-7-17(8-10-19)14-30-24-12-11-21(26(29)32-24)25(34)23-16-33(27-22(23)13-18(28)15-31-27)38(35,36)20-5-3-2-4-6-20;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;20-11-8-14-15(17(26)13-6-7-16(22)24-18(13)21)10-25(19(14)23-9-11)29(27,28)12-4-2-1-3-5-12;1-19(2,3)26-18(24)22(11-13-5-8-15(25-4)9-6-13)16-10-7-14(12-23)17(20)21-16;14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10;1-11-7-5(4-10)2-6(8)3-9-7;1-5(2,3)7-4-6;/h2-6,9-15H,7-8H2,1H3;2-13,15-16H,14H2,1H3,(H,30,32);12-13,15H,8-11H2,1-7H3;1-10H,(H2,22,24);5-10,12H,11H2,1-4H3;1-8H;2-4H,1H3;4H,1-3H3;1H4.
What are the key properties of (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane?
(6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane has a molecular weight of 3158.27 g/mol, XLogP of 26.95, 32 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-fluoro-3-pyridinyl)-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]methanone;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methanone;[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanone;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl formate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;5-fluoro-2-methoxypyridine-3-carbaldehyde;methane is sourced from PubChem (CID 160698942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).