2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane

C57H76Br2N12O8 — CID 158282287

IUPAC2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane
SMILESC.C.CCc1cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cc(Br)cnc2N)ccc1C.CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(-c3cnn(C)c3)cnc2N)ccc1C.Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C25H33BrN4O4.C24H30N6O2.C6H5BrN2O2.2CH4/c1-6-17-9-16(8-7-15(17)2)14-33-21-13-30(24(32)34-25(3,4)5)12-20(21)29-23(31)19-10-18(26)11-28-22(19)27;1-4-17-7-16(6-5-15(17)2)14-32-22-12-26-11-21(22)29-24(31)20-8-18(9-27-23(20)25)19-10-28-30(3)13-19;7-3-1-4(6(10)11)5(8)9-2-3;;/h7-11,20-21H,6,12-14H2,1-5H3,(H2,27,28)(H,29,31);5-10,13,21-22,26H,4,11-12,14H2,1-3H3,(H2,25,27)(H,29,31);1-2H,(H2,8,9)(H,10,11);2*1H4/t20-,21-;21-,22-;;;/m00.../s1
InChIKeyGKIVMOVUDSLCRU-XDKJTMHGSA-N
MW1217.12 g/mol
LogP8.85
Rot. Bonds14

About 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane

2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane (PubChem CID 158282287) has the molecular formula C57H76Br2N12O8 and a molecular weight of 1217.12 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane.

Molecular Properties

Compound Name2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane
PubChem CID158282287
Molecular FormulaC57H76Br2N12O8
Molecular Weight1217.12 g/mol
Exact Mass1214.43
IUPAC Name2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane
SMILESC.C.CCc1cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cc(Br)cnc2N)ccc1C.CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(-c3cnn(C)c3)cnc2N)ccc1C.Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C25H33BrN4O4.C24H30N6O2.C6H5BrN2O2.2CH4/c1-6-17-9-16(8-7-15(17)2)14-33-21-13-30(24(32)34-25(3,4)5)12-20(21)29-23(31)19-10-18(26)11-28-22(19)27;1-4-17-7-16(6-5-15(17)2)14-32-22-12-26-11-21(22)29-24(31)20-8-18(9-27-23(20)25)19-10-28-30(3)13-19;7-3-1-4(6(10)11)5(8)9-2-3;;/h7-11,20-21H,6,12-14H2,1-5H3,(H2,27,28)(H,29,31);5-10,13,21-22,26H,4,11-12,14H2,1-3H3,(H2,25,27)(H,29,31);1-2H,(H2,8,9)(H,10,11);2*1H4/t20-,21-;21-,22-;;;/m00.../s1
InChIKeyGKIVMOVUDSLCRU-XDKJTMHGSA-N
XLogP8.85
TPSA290.08 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001217.12
LogP ≤ 58.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane?
The IUPAC name of 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane (CID 158282287) is 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane.
What is the SMILES notation for 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane?
The canonical SMILES for 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane is C.C.CCc1cc(CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)c2cc(Br)cnc2N)ccc1C.CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(-c3cnn(C)c3)cnc2N)ccc1C.Nc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane?
The InChIKey is GKIVMOVUDSLCRU-XDKJTMHGSA-N. The full InChI is InChI=1S/C25H33BrN4O4.C24H30N6O2.C6H5BrN2O2.2CH4/c1-6-17-9-16(8-7-15(17)2)14-33-21-13-30(24(32)34-25(3,4)5)12-20(21)29-23(31)19-10-18(26)11-28-22(19)27;1-4-17-7-16(6-5-15(17)2)14-32-22-12-26-11-21(22)29-24(31)20-8-18(9-27-23(20)25)19-10-28-30(3)13-19;7-3-1-4(6(10)11)5(8)9-2-3;;/h7-11,20-21H,6,12-14H2,1-5H3,(H2,27,28)(H,29,31);5-10,13,21-22,26H,4,11-12,14H2,1-3H3,(H2,25,27)(H,29,31);1-2H,(H2,8,9)(H,10,11);2*1H4/t20-,21-;21-,22-;;;/m00.../s1.
What are the key properties of 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane?
2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane has a molecular weight of 1217.12 g/mol, XLogP of 8.85, 14 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-3-carboxylic acid;2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;tert-butyl (3S,4S)-3-[(2-amino-5-bromopyridine-3-carbonyl)amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate;methane is sourced from PubChem (CID 158282287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).