tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine

C84H94Cl7N23O12 — CID 159514135

IUPACtert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine
SMILESC.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.Cc1c[nH]c2c(N)cccc12.Cc1c[nH]c2c(Nc3nc(Cl)cc4cn[nH]c(=O)c34)cccc12.Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)cc4cn[nH]c(=O)c34)cccc12.NN.O=C(O)c1ccc(Cl)nc1Cl.O=C1OC(O)c2cc(Cl)nc(Cl)c21.O=c1[nH]ncc2cc(Cl)nc(Cl)c12
InChIInChI=1S/C27H33N7O3.C16H12ClN5O.C11H22N2O2.C9H10N2.C7H3Cl2N3O.C7H3Cl2NO3.C6H3Cl2NO2.CH4.H4N2/c1-15-13-28-23-17(15)8-7-11-20(23)31-24-22-16(14-29-34-25(22)35)12-21(33-24)30-18-9-5-6-10-19(18)32-26(36)37-27(2,3)4;1-8-6-18-14-10(8)3-2-4-11(14)20-15-13-9(5-12(17)21-15)7-19-22-16(13)23;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;1-6-5-11-9-7(6)3-2-4-8(9)10;8-4-1-3-2-10-12-7(13)5(3)6(9)11-4;8-3-1-2-4(5(9)10-3)7(12)13-6(2)11;7-4-2-1-3(6(10)11)5(8)9-4;;1-2/h7-8,11-14,18-19,28H,5-6,9-10H2,1-4H3,(H,32,36)(H,34,35)(H2,30,31,33);2-7,18H,1H3,(H,20,21)(H,22,23);8-9H,4-7,12H2,1-3H3,(H,13,14);2-5,11H,10H2,1H3;1-2H,(H,12,13);1,6,11H;1-2H,(H,10,11);1H4;1-2H2/t18-,19+;;8-,9+;;;;;;/m1.1....../s1
InChIKeyMAYRPAMOCRADJM-ZZVVYHIBSA-N
MW1866.00 g/mol
LogP17.16
Rot. Bonds9

About tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine

tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine (PubChem CID 159514135) has the molecular formula C84H94Cl7N23O12 and a molecular weight of 1866.00 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine
PubChem CID159514135
Molecular FormulaC84H94Cl7N23O12
Molecular Weight1866.00 g/mol
Exact Mass1861.53
IUPAC Nametert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine
SMILESC.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.Cc1c[nH]c2c(N)cccc12.Cc1c[nH]c2c(Nc3nc(Cl)cc4cn[nH]c(=O)c34)cccc12.Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)cc4cn[nH]c(=O)c34)cccc12.NN.O=C(O)c1ccc(Cl)nc1Cl.O=C1OC(O)c2cc(Cl)nc(Cl)c21.O=c1[nH]ncc2cc(Cl)nc(Cl)c12
InChIInChI=1S/C27H33N7O3.C16H12ClN5O.C11H22N2O2.C9H10N2.C7H3Cl2N3O.C7H3Cl2NO3.C6H3Cl2NO2.CH4.H4N2/c1-15-13-28-23-17(15)8-7-11-20(23)31-24-22-16(14-29-34-25(22)35)12-21(33-24)30-18-9-5-6-10-19(18)32-26(36)37-27(2,3)4;1-8-6-18-14-10(8)3-2-4-11(14)20-15-13-9(5-12(17)21-15)7-19-22-16(13)23;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;1-6-5-11-9-7(6)3-2-4-8(9)10;8-4-1-3-2-10-12-7(13)5(3)6(9)11-4;8-3-1-2-4(5(9)10-3)7(12)13-6(2)11;7-4-2-1-3(6(10)11)5(8)9-4;;1-2/h7-8,11-14,18-19,28H,5-6,9-10H2,1-4H3,(H,32,36)(H,34,35)(H2,30,31,33);2-7,18H,1H3,(H,20,21)(H,22,23);8-9H,4-7,12H2,1-3H3,(H,13,14);2-5,11H,10H2,1H3;1-2H,(H,12,13);1,6,11H;1-2H,(H,10,11);1H4;1-2H2/t18-,19+;;8-,9+;;;;;;/m1.1....../s1
InChIKeyMAYRPAMOCRADJM-ZZVVYHIBSA-N
XLogP17.16
TPSA549.73 Ų
H-Bond Donors17
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001866.00
LogP ≤ 517.16
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine?
The IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine (CID 159514135) is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine is C.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.Cc1c[nH]c2c(N)cccc12.Cc1c[nH]c2c(Nc3nc(Cl)cc4cn[nH]c(=O)c34)cccc12.Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)cc4cn[nH]c(=O)c34)cccc12.NN.O=C(O)c1ccc(Cl)nc1Cl.O=C1OC(O)c2cc(Cl)nc(Cl)c21.O=c1[nH]ncc2cc(Cl)nc(Cl)c12.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine?
The InChIKey is MAYRPAMOCRADJM-ZZVVYHIBSA-N. The full InChI is InChI=1S/C27H33N7O3.C16H12ClN5O.C11H22N2O2.C9H10N2.C7H3Cl2N3O.C7H3Cl2NO3.C6H3Cl2NO2.CH4.H4N2/c1-15-13-28-23-17(15)8-7-11-20(23)31-24-22-16(14-29-34-25(22)35)12-21(33-24)30-18-9-5-6-10-19(18)32-26(36)37-27(2,3)4;1-8-6-18-14-10(8)3-2-4-11(14)20-15-13-9(5-12(17)21-15)7-19-22-16(13)23;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;1-6-5-11-9-7(6)3-2-4-8(9)10;8-4-1-3-2-10-12-7(13)5(3)6(9)11-4;8-3-1-2-4(5(9)10-3)7(12)13-6(2)11;7-4-2-1-3(6(10)11)5(8)9-4;;1-2/h7-8,11-14,18-19,28H,5-6,9-10H2,1-4H3,(H,32,36)(H,34,35)(H2,30,31,33);2-7,18H,1H3,(H,20,21)(H,22,23);8-9H,4-7,12H2,1-3H3,(H,13,14);2-5,11H,10H2,1H3;1-2H,(H,12,13);1,6,11H;1-2H,(H,10,11);1H4;1-2H2/t18-,19+;;8-,9+;;;;;;/m1.1....../s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine?
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine has a molecular weight of 1866.00 g/mol, XLogP of 17.16, 9 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine is sourced from PubChem (CID 159514135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).