dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)

C155H227AlBr2ClKLi2N14O20S3 — CID 157224886

IUPACdilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)
SMILESC#CCC1CCC(C)CC1.C#CCC1CCC(C)CC1.CC(C)(C)[O-].CC1CCC(C(=O)O)CC1.CC1CCC(CO)CC1.CC1CCC(Cc2cc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)cc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc(Cl)c(Br)c1.COC(=O)c1cnc(NC2CC2)c(Br)c1.COC(=O)c1cnc(NC2CC2)c(C#CCC2CCC(C)CC2)c1.Cc1ccc(S(=O)(=O)OCC2CCC(C)CC2)cc1.NC1CC1.NCCN.[AlH3].[C-]#C.[H-].[K+].[Li+].[Li+]
InChIInChI=1S/C28H35N3O3S.C20H26N2O2.C19H24N2O2.C15H22O3S.C10H11BrN2O2.2C10H16.C9H13NO2S.C8H14O2.C8H16O.C7H5BrClNO2.C4H9O.C3H7N.C2H8N2.C2H.Al.K.2Li.4H/c1-3-35(33,34)26-12-8-21(9-13-26)17-30-28(32)23-15-22-16-25(14-20-6-4-19(2)5-7-20)31(24-10-11-24)27(22)29-18-23;1-14-6-8-15(9-7-14)4-3-5-16-12-17(20(23)24-2)13-21-19(16)22-18-10-11-18;1-12-2-4-13(5-3-12)8-17-10-14-9-15(19(22)23)11-20-18(14)21(17)16-6-7-16;1-12-3-7-14(8-4-12)11-18-19(16,17)15-9-5-13(2)6-10-15;1-15-10(14)6-4-8(11)9(12-5-6)13-7-2-3-7;2*1-3-4-10-7-5-9(2)6-8-10;1-2-13(11,12)9-5-3-8(7-10)4-6-9;1-6-2-4-7(5-3-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-12-7(11)4-2-5(8)6(9)10-3-4;1-4(2,3)5;4-3-1-2-3;3-1-2-4;1-2;;;;;;;;/h8-9,12-13,15-16,18-20,24H,3-7,10-11,14,17H2,1-2H3,(H,30,32);12-15,18H,4,6-11H2,1-2H3,(H,21,22);9-13,16H,2-8H2,1H3,(H,22,23);5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3;4-5,7H,2-3H2,1H3,(H,12,13);2*1,9-10H,4-8H2,2H3;3-6H,2,7,10H2,1H3;6-7H,2-5H2,1H3,(H,9,10);7-9H,2-6H2,1H3;2-3H,1H3;1-3H3;3H,1-2,4H2;1-4H2;1H;;;;;;;;/q;;;;;;;;;;;-1;;;-1;;3*+1;;;;-1
InChIKeyXJCXOBWOJJHRHF-UHFFFAOYSA-N
MW2978.02 g/mol
LogP21.54
Rot. Bonds32

About dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)

dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane) (PubChem CID 157224886) has the molecular formula C155H227AlBr2ClKLi2N14O20S3 and a molecular weight of 2978.02 g/mol. Its IUPAC name is dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane).

Molecular Properties

Compound Namedilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)
PubChem CID157224886
Molecular FormulaC155H227AlBr2ClKLi2N14O20S3
Molecular Weight2978.02 g/mol
Exact Mass2973.42
IUPAC Namedilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)
SMILESC#CCC1CCC(C)CC1.C#CCC1CCC(C)CC1.CC(C)(C)[O-].CC1CCC(C(=O)O)CC1.CC1CCC(CO)CC1.CC1CCC(Cc2cc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)cc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc(Cl)c(Br)c1.COC(=O)c1cnc(NC2CC2)c(Br)c1.COC(=O)c1cnc(NC2CC2)c(C#CCC2CCC(C)CC2)c1.Cc1ccc(S(=O)(=O)OCC2CCC(C)CC2)cc1.NC1CC1.NCCN.[AlH3].[C-]#C.[H-].[K+].[Li+].[Li+]
InChIInChI=1S/C28H35N3O3S.C20H26N2O2.C19H24N2O2.C15H22O3S.C10H11BrN2O2.2C10H16.C9H13NO2S.C8H14O2.C8H16O.C7H5BrClNO2.C4H9O.C3H7N.C2H8N2.C2H.Al.K.2Li.4H/c1-3-35(33,34)26-12-8-21(9-13-26)17-30-28(32)23-15-22-16-25(14-20-6-4-19(2)5-7-20)31(24-10-11-24)27(22)29-18-23;1-14-6-8-15(9-7-14)4-3-5-16-12-17(20(23)24-2)13-21-19(16)22-18-10-11-18;1-12-2-4-13(5-3-12)8-17-10-14-9-15(19(22)23)11-20-18(14)21(17)16-6-7-16;1-12-3-7-14(8-4-12)11-18-19(16,17)15-9-5-13(2)6-10-15;1-15-10(14)6-4-8(11)9(12-5-6)13-7-2-3-7;2*1-3-4-10-7-5-9(2)6-8-10;1-2-13(11,12)9-5-3-8(7-10)4-6-9;1-6-2-4-7(5-3-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-12-7(11)4-2-5(8)6(9)10-3-4;1-4(2,3)5;4-3-1-2-3;3-1-2-4;1-2;;;;;;;;/h8-9,12-13,15-16,18-20,24H,3-7,10-11,14,17H2,1-2H3,(H,30,32);12-15,18H,4,6-11H2,1-2H3,(H,21,22);9-13,16H,2-8H2,1H3,(H,22,23);5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3;4-5,7H,2-3H2,1H3,(H,12,13);2*1,9-10H,4-8H2,2H3;3-6H,2,7,10H2,1H3;6-7H,2-5H2,1H3,(H,9,10);7-9H,2-6H2,1H3;2-3H,1H3;1-3H3;3H,1-2,4H2;1-4H2;1H;;;;;;;;/q;;;;;;;;;;;-1;;;-1;;3*+1;;;;-1
InChIKeyXJCXOBWOJJHRHF-UHFFFAOYSA-N
XLogP21.54
TPSA539.99 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002978.02
LogP ≤ 521.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)?
The IUPAC name of dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane) (CID 157224886) is dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane).
What is the SMILES notation for dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)?
The canonical SMILES for dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane) is C#CCC1CCC(C)CC1.C#CCC1CCC(C)CC1.CC(C)(C)[O-].CC1CCC(C(=O)O)CC1.CC1CCC(CO)CC1.CC1CCC(Cc2cc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)cc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc(Cl)c(Br)c1.COC(=O)c1cnc(NC2CC2)c(Br)c1.COC(=O)c1cnc(NC2CC2)c(C#CCC2CCC(C)CC2)c1.Cc1ccc(S(=O)(=O)OCC2CCC(C)CC2)cc1.NC1CC1.NCCN.[AlH3].[C-]#C.[H-].[K+].[Li+].[Li+].
What is the InChIKey of dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)?
The InChIKey is XJCXOBWOJJHRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3S.C20H26N2O2.C19H24N2O2.C15H22O3S.C10H11BrN2O2.2C10H16.C9H13NO2S.C8H14O2.C8H16O.C7H5BrClNO2.C4H9O.C3H7N.C2H8N2.C2H.Al.K.2Li.4H/c1-3-35(33,34)26-12-8-21(9-13-26)17-30-28(32)23-15-22-16-25(14-20-6-4-19(2)5-7-20)31(24-10-11-24)27(22)29-18-23;1-14-6-8-15(9-7-14)4-3-5-16-12-17(20(23)24-2)13-21-19(16)22-18-10-11-18;1-12-2-4-13(5-3-12)8-17-10-14-9-15(19(22)23)11-20-18(14)21(17)16-6-7-16;1-12-3-7-14(8-4-12)11-18-19(16,17)15-9-5-13(2)6-10-15;1-15-10(14)6-4-8(11)9(12-5-6)13-7-2-3-7;2*1-3-4-10-7-5-9(2)6-8-10;1-2-13(11,12)9-5-3-8(7-10)4-6-9;1-6-2-4-7(5-3-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-12-7(11)4-2-5(8)6(9)10-3-4;1-4(2,3)5;4-3-1-2-3;3-1-2-4;1-2;;;;;;;;/h8-9,12-13,15-16,18-20,24H,3-7,10-11,14,17H2,1-2H3,(H,30,32);12-15,18H,4,6-11H2,1-2H3,(H,21,22);9-13,16H,2-8H2,1H3,(H,22,23);5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3;4-5,7H,2-3H2,1H3,(H,12,13);2*1,9-10H,4-8H2,2H3;3-6H,2,7,10H2,1H3;6-7H,2-5H2,1H3,(H,9,10);7-9H,2-6H2,1H3;2-3H,1H3;1-3H3;3H,1-2,4H2;1-4H2;1H;;;;;;;;/q;;;;;;;;;;;-1;;;-1;;3*+1;;;;-1.
What are the key properties of dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane)?
dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane) has a molecular weight of 2978.02 g/mol, XLogP of 21.54, 32 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;potassium;alumane;cyclopropanamine;1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;1-cyclopropyl-2-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;ethane-1,2-diamine;(4-ethylsulfonylphenyl)methanamine;ethyne;hydride;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-(cyclopropylamino)pyridine-3-carboxylate;4-methylcyclohexane-1-carboxylic acid;(4-methylcyclohexyl)methanol;(4-methylcyclohexyl)methyl 4-methylbenzenesulfonate;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)prop-1-ynyl]pyridine-3-carboxylate;2-methylpropan-2-olate;bis(1-methyl-4-prop-2-ynylcyclohexane) is sourced from PubChem (CID 157224886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).