(2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride

C97H108Br2ClF2N23O13 — CID 158448877

IUPAC(2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride
SMILESC.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Nc3ccc(C)nn3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cnc(C)nc3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Nc3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(C)cc12.Cc1ncc(N)cn1.Cl.O=C(Nc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C27H25BrFN7O3.C21H24N4O3.C17H16N4O3.C16H20N2O3.C10H11BrFN3O.C5H7N3.CH4.ClH/c1-15-6-9-25(34-33-15)30-18-7-8-21-19(11-18)20(16(2)37)13-35(21)14-26(38)36-12-17(29)10-22(36)27(39)32-24-5-3-4-23(28)31-24;1-13(26)18-11-25(12-20(27)28-21(3,4)5)19-7-6-15(8-17(18)19)24-16-9-22-14(2)23-10-16;1-10(22)15-8-21(9-17(23)24)16-4-3-12(5-14(15)16)20-13-6-18-11(2)19-7-13;1-10-6-7-13-12(8-10)15(11(2)19)17-18(13)9-14(20)21-16(3,4)5;11-8-2-1-3-9(14-8)15-10(16)7-4-6(12)5-13-7;1-4-7-2-5(6)3-8-4;;/h3-9,11,13,17,22H,10,12,14H2,1-2H3,(H,30,34)(H,31,32,39);6-11,24H,12H2,1-5H3;3-8,20H,9H2,1-2H3,(H,23,24);6-8H,9H2,1-5H3;1-3,6-7,13H,4-5H2,(H,14,15,16);2-3H,6H2,1H3;1H4;1H/t17-,22+;;;;6-,7+;;;/m1...1.../s1
InChIKeyLEJNXJCAEWJDEE-HGGMLNORSA-N
MW2037.34 g/mol
LogP17.02
Rot. Bonds22

About (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride

(2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride (PubChem CID 158448877) has the molecular formula C97H108Br2ClF2N23O13 and a molecular weight of 2037.34 g/mol. Its IUPAC name is (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride
PubChem CID158448877
Molecular FormulaC97H108Br2ClF2N23O13
Molecular Weight2037.34 g/mol
Exact Mass2033.65
IUPAC Name(2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride
SMILESC.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Nc3ccc(C)nn3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cnc(C)nc3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Nc3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(C)cc12.Cc1ncc(N)cn1.Cl.O=C(Nc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C27H25BrFN7O3.C21H24N4O3.C17H16N4O3.C16H20N2O3.C10H11BrFN3O.C5H7N3.CH4.ClH/c1-15-6-9-25(34-33-15)30-18-7-8-21-19(11-18)20(16(2)37)13-35(21)14-26(38)36-12-17(29)10-22(36)27(39)32-24-5-3-4-23(28)31-24;1-13(26)18-11-25(12-20(27)28-21(3,4)5)19-7-6-15(8-17(18)19)24-16-9-22-14(2)23-10-16;1-10(22)15-8-21(9-17(23)24)16-4-3-12(5-14(15)16)20-13-6-18-11(2)19-7-13;1-10-6-7-13-12(8-10)15(11(2)19)17-18(13)9-14(20)21-16(3,4)5;11-8-2-1-3-9(14-8)15-10(16)7-4-6(12)5-13-7;1-4-7-2-5(6)3-8-4;;/h3-9,11,13,17,22H,10,12,14H2,1-2H3,(H,30,34)(H,31,32,39);6-11,24H,12H2,1-5H3;3-8,20H,9H2,1-2H3,(H,23,24);6-8H,9H2,1-5H3;1-3,6-7,13H,4-5H2,(H,14,15,16);2-3H,6H2,1H3;1H4;1H/t17-,22+;;;;6-,7+;;;/m1...1.../s1
InChIKeyLEJNXJCAEWJDEE-HGGMLNORSA-N
XLogP17.02
TPSA472.34 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002037.34
LogP ≤ 517.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride 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

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-[[2-[3-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]-3-pyridinyl]methyl]-N-(6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide
CID 146238504
(2S,4R)-1-[2-[3-acetyl-5-(2-methoxypyrimidin-5-yl)indol-1-yl]acetyl]-4-[[2-[3-[[(2S,4R)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]phenyl]methyl]-N-(6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide
CID 146238539
1-[(1S,2S,5R)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-azabicyclo[3.1.0]hexan-2-yl]-2-(6-methyl-2-pyridinyl)ethanone;3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157131043
CID 157256245
CID 157256245
2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-azido-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-3-azido-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2R,3R,4R)-4-azido-N-(6-bromo-2-pyridinyl)-3-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfane;tert-butyl (2S,3S,4S)-3-azido-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate;tert-butyl (2R,3R,4R)-4-azido-2-[(6-bromo-2-pyridinyl)carbamoyl]-3-fluoropyrrolidine-1-carboxylate;2,2,2-trifluoroacetaldehyde
CID 157571851
CID 157713922
CID 157713922
CID 157804868
CID 157804868
(2S,4R)-1-[2-[3-acetyl-5-(3-cyano-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-(6-cyano-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 157871832
2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-azido-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-3-azido-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2R,3R,4R)-4-azido-N-(6-bromo-2-pyridinyl)-3-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfane;tert-butyl (2S,3S,4S)-3-azido-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate;tert-butyl (2R,3R,4R)-4-azido-2-[(6-bromo-2-pyridinyl)carbamoyl]-3-fluoropyrrolidine-1-carboxylate;methane;2,2,2-trifluoroacetaldehyde
CID 157905801
(2S,3S,4S)-3-acetamido-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(3S,4R)-4-acetamido-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-3-fluoropyrrolidine-2-carboxamide;(2S,3S,4S)-3-acetamido-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;(2R,3S,4R)-N-(6-bromo-2-pyridinyl)-3-fluoro-4-(2-oxopropyl)pyrrolidine-2-carboxamide;tert-butyl (2R,3S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-3-fluoro-4-(2-oxopropyl)pyrrolidine-1-carboxylate;methane;2,2,2-trifluoroacetaldehyde
CID 157920955
CID 157964088
CID 157964088
bis((1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide);(2S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]-4-fluoropyrrolidine-2-carboxamide;(1R,2S,5S)-3-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(1-ethylpyrazol-3-yl)-3-azabicyclo[3.1.0]hexane-2-carboxamide;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 158021591

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride?
The IUPAC name of (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride (CID 158448877) is (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride.
What is the SMILES notation for (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride?
The canonical SMILES for (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride is C.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Nc3ccc(C)nn3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cnc(C)nc3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Nc3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(C)cc12.Cc1ncc(N)cn1.Cl.O=C(Nc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride?
The InChIKey is LEJNXJCAEWJDEE-HGGMLNORSA-N. The full InChI is InChI=1S/C27H25BrFN7O3.C21H24N4O3.C17H16N4O3.C16H20N2O3.C10H11BrFN3O.C5H7N3.CH4.ClH/c1-15-6-9-25(34-33-15)30-18-7-8-21-19(11-18)20(16(2)37)13-35(21)14-26(38)36-12-17(29)10-22(36)27(39)32-24-5-3-4-23(28)31-24;1-13(26)18-11-25(12-20(27)28-21(3,4)5)19-7-6-15(8-17(18)19)24-16-9-22-14(2)23-10-16;1-10(22)15-8-21(9-17(23)24)16-4-3-12(5-14(15)16)20-13-6-18-11(2)19-7-13;1-10-6-7-13-12(8-10)15(11(2)19)17-18(13)9-14(20)21-16(3,4)5;11-8-2-1-3-9(14-8)15-10(16)7-4-6(12)5-13-7;1-4-7-2-5(6)3-8-4;;/h3-9,11,13,17,22H,10,12,14H2,1-2H3,(H,30,34)(H,31,32,39);6-11,24H,12H2,1-5H3;3-8,20H,9H2,1-2H3,(H,23,24);6-8H,9H2,1-5H3;1-3,6-7,13H,4-5H2,(H,14,15,16);2-3H,6H2,1H3;1H4;1H/t17-,22+;;;;6-,7+;;;/m1...1.../s1.
What are the key properties of (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride?
(2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride has a molecular weight of 2037.34 g/mol, XLogP of 17.02, 22 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-[3-acetyl-5-[(6-methylpyridazin-3-yl)amino]indol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-methylindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indol-1-yl]acetate;methane;2-methylpyrimidin-5-amine;hydrochloride is sourced from PubChem (CID 158448877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).