dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol

C151H215BrCl3K2N43O13 — CID 164986968

IUPACdipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol
SMILESC.C.C.C.C.CC#N.CC(=O)O.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(N)C2.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(Nc1nc(Cl)cc3ncccc13)C2.CCCCO.CCCO.Cc1cc(N)n[nH]1.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)n[nH]1.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1.Clc1cc2ncccc2c(Cl)n1.N#CCCBr.O=CO[O-].[C-]#[N+]CCN1[C@@H]2CC[C@H]1CC(Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2.[C-]#[N+]CCN1[C@@H]2CC[C@H]1CC(Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2.[H-].[K+].[K+]
InChIInChI=1S/C24H31N7O2.2C22H26N8.C20H25ClN4O2.C19H23N7.C12H22N2O2.C8H4Cl2N2.C4H7N3.C4H10O.C3H4BrN.C3H8O.C2H3N.C2H4O2.CH2O3.5CH4.2K.H/c1-14-10-21(30-29-14)27-20-13-19-18(6-5-9-25-19)22(28-20)26-15-11-16-7-8-17(12-15)31(16)23(32)33-24(2,3)4;2*1-14-10-21(29-28-14)26-20-13-19-18(4-3-7-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-8-23-2;1-20(2,3)27-19(26)25-13-6-7-14(25)10-12(9-13)23-18-15-5-4-8-22-16(15)11-17(21)24-18;1-11-7-18(26-25-11)23-17-10-16-15(3-2-6-20-16)19(24-17)22-14-8-12-4-5-13(9-14)21-12;1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9;9-7-4-6-5(8(10)12-7)2-1-3-11-6;1-3-2-4(5)7-6-3;1-2-3-4-5;4-2-1-3-5;1-2-3-4;1-2-3;1-2(3)4;2-1-4-3;;;;;;;;/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H3,26,27,28,29,30);2*3-4,7,10,13,15-17H,5-6,8-9,11-12H2,1H3,(H3,25,26,27,28,29);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,23,24);2-3,6-7,10,12-14,21H,4-5,8-9H2,1H3,(H3,22,23,24,25,26);8-10H,4-7,13H2,1-3H3;1-4H;2H,1H3,(H3,5,6,7);5H,2-4H2,1H3;1-2H2;4H,2-3H2,1H3;1H3;1H3,(H,3,4);1,3H;5*1H4;;;/q;;;;;;;;;;;;;;;;;;;2*+1;-1/p-1/t3*15?,16-,17+;12?,13-,14+;12-,13+,14?;8?,9-,10+;;;;;;;;;;;;;;;;
InChIKeyXKZNUKUZQWWCNM-FGNWEPEKSA-M
MW3105.13 g/mol
LogP23.87
Rot. Bonds27

About dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol

dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol (PubChem CID 164986968) has the molecular formula C151H215BrCl3K2N43O13 and a molecular weight of 3105.13 g/mol. Its IUPAC name is dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol.

Molecular Properties

Compound Namedipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol
PubChem CID164986968
Molecular FormulaC151H215BrCl3K2N43O13
Molecular Weight3105.13 g/mol
Exact Mass3100.50
IUPAC Namedipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol
SMILESC.C.C.C.C.CC#N.CC(=O)O.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(N)C2.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(Nc1nc(Cl)cc3ncccc13)C2.CCCCO.CCCO.Cc1cc(N)n[nH]1.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)n[nH]1.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1.Clc1cc2ncccc2c(Cl)n1.N#CCCBr.O=CO[O-].[C-]#[N+]CCN1[C@@H]2CC[C@H]1CC(Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2.[C-]#[N+]CCN1[C@@H]2CC[C@H]1CC(Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2.[H-].[K+].[K+]
InChIInChI=1S/C24H31N7O2.2C22H26N8.C20H25ClN4O2.C19H23N7.C12H22N2O2.C8H4Cl2N2.C4H7N3.C4H10O.C3H4BrN.C3H8O.C2H3N.C2H4O2.CH2O3.5CH4.2K.H/c1-14-10-21(30-29-14)27-20-13-19-18(6-5-9-25-19)22(28-20)26-15-11-16-7-8-17(12-15)31(16)23(32)33-24(2,3)4;2*1-14-10-21(29-28-14)26-20-13-19-18(4-3-7-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-8-23-2;1-20(2,3)27-19(26)25-13-6-7-14(25)10-12(9-13)23-18-15-5-4-8-22-16(15)11-17(21)24-18;1-11-7-18(26-25-11)23-17-10-16-15(3-2-6-20-16)19(24-17)22-14-8-12-4-5-13(9-14)21-12;1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9;9-7-4-6-5(8(10)12-7)2-1-3-11-6;1-3-2-4(5)7-6-3;1-2-3-4-5;4-2-1-3-5;1-2-3-4;1-2-3;1-2(3)4;2-1-4-3;;;;;;;;/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H3,26,27,28,29,30);2*3-4,7,10,13,15-17H,5-6,8-9,11-12H2,1H3,(H3,25,26,27,28,29);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,23,24);2-3,6-7,10,12-14,21H,4-5,8-9H2,1H3,(H3,22,23,24,25,26);8-10H,4-7,13H2,1-3H3;1-4H;2H,1H3,(H3,5,6,7);5H,2-4H2,1H3;1-2H2;4H,2-3H2,1H3;1H3;1H3,(H,3,4);1,3H;5*1H4;;;/q;;;;;;;;;;;;;;;;;;;2*+1;-1/p-1/t3*15?,16-,17+;12?,13-,14+;12-,13+,14?;8?,9-,10+;;;;;;;;;;;;;;;;
InChIKeyXKZNUKUZQWWCNM-FGNWEPEKSA-M
XLogP23.87
TPSA748.94 Ų
H-Bond Donors20
H-Bond Acceptors45
Rotatable Bonds27
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003105.13
LogP ≤ 523.87
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1045

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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol?
The IUPAC name of dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol (CID 164986968) is dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol.
What is the SMILES notation for dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol?
The canonical SMILES for dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol is C.C.C.C.C.CC#N.CC(=O)O.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(N)C2.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(Nc1nc(Cl)cc3ncccc13)C2.CCCCO.CCCO.Cc1cc(N)n[nH]1.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)n[nH]1.Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1.Clc1cc2ncccc2c(Cl)n1.N#CCCBr.O=CO[O-].[C-]#[N+]CCN1[C@@H]2CC[C@H]1CC(Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2.[C-]#[N+]CCN1[C@@H]2CC[C@H]1CC(Nc1nc(Nc3cc(C)[nH]n3)cc3ncccc13)C2.[H-].[K+].[K+].
What is the InChIKey of dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol?
The InChIKey is XKZNUKUZQWWCNM-FGNWEPEKSA-M. The full InChI is InChI=1S/C24H31N7O2.2C22H26N8.C20H25ClN4O2.C19H23N7.C12H22N2O2.C8H4Cl2N2.C4H7N3.C4H10O.C3H4BrN.C3H8O.C2H3N.C2H4O2.CH2O3.5CH4.2K.H/c1-14-10-21(30-29-14)27-20-13-19-18(6-5-9-25-19)22(28-20)26-15-11-16-7-8-17(12-15)31(16)23(32)33-24(2,3)4;2*1-14-10-21(29-28-14)26-20-13-19-18(4-3-7-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-8-23-2;1-20(2,3)27-19(26)25-13-6-7-14(25)10-12(9-13)23-18-15-5-4-8-22-16(15)11-17(21)24-18;1-11-7-18(26-25-11)23-17-10-16-15(3-2-6-20-16)19(24-17)22-14-8-12-4-5-13(9-14)21-12;1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9;9-7-4-6-5(8(10)12-7)2-1-3-11-6;1-3-2-4(5)7-6-3;1-2-3-4-5;4-2-1-3-5;1-2-3-4;1-2-3;1-2(3)4;2-1-4-3;;;;;;;;/h5-6,9-10,13,15-17H,7-8,11-12H2,1-4H3,(H3,26,27,28,29,30);2*3-4,7,10,13,15-17H,5-6,8-9,11-12H2,1H3,(H3,25,26,27,28,29);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,23,24);2-3,6-7,10,12-14,21H,4-5,8-9H2,1H3,(H3,22,23,24,25,26);8-10H,4-7,13H2,1-3H3;1-4H;2H,1H3,(H3,5,6,7);5H,2-4H2,1H3;1-2H2;4H,2-3H2,1H3;1H3;1H3,(H,3,4);1,3H;5*1H4;;;/q;;;;;;;;;;;;;;;;;;;2*+1;-1/p-1/t3*15?,16-,17+;12?,13-,14+;12-,13+,14?;8?,9-,10+;;;;;;;;;;;;;;;;.
What are the key properties of dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol?
dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol has a molecular weight of 3105.13 g/mol, XLogP of 23.87, 27 rotatable bonds, 20 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;acetic acid;acetonitrile;5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;3-bromopropanenitrile;butan-1-ol;tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;5,7-dichloro-1,6-naphthyridine;hydride;bis(5-N-[(1S,5R)-8-(2-isocyanoethyl)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine);methane;5-methyl-1H-pyrazol-3-amine;oxido formate;propan-1-ol is sourced from PubChem (CID 164986968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).