4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol

C100H118BBrF3N27O9S — CID 165111056

IUPAC4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol
SMILESC/N=C/C(=CN)c1cnc(C(C#N)=CN)c(OS(=O)(=O)C(F)(F)F)c1.CC1(NC=O)C[C@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1.CC1(NC=O)C[C@H]2CN(c3ccc(Br)cn3)C[C@H]2C1.CCO.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(NC=O)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1ccc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(N)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)n1
InChIInChI=1S/C26H26N8O.C25H26N8.C20H30BN3O3.C14H18BrN3O.C13H12F3N5O3S.C2H6O/c1-26(29-16-35)6-19-13-33(14-20(19)7-26)24-4-3-17(9-28-24)23-5-18(22-11-30-32(2)12-22)15-34-25(23)21(8-27)10-31-34;1-25(27)8-18-13-32(14-19(18)9-25)23-4-3-16(11-28-23)21-7-17(22-5-6-31(2)30-22)15-33-24(21)20(10-26)12-29-33;1-18(2)19(3,4)27-21(26-18)16-6-7-17(22-10-16)24-11-14-8-20(5,23-13-25)9-15(14)12-24;1-14(17-9-19)4-10-7-18(8-11(10)5-14)13-3-2-12(15)6-16-13;1-20-6-10(5-19)8-2-11(24-25(22,23)13(14,15)16)12(21-7-8)9(3-17)4-18;1-2-3/h3-5,9-12,15-16,19-20H,6-7,13-14H2,1-2H3,(H,29,35);3-7,11-12,15,18-19H,8-9,13-14,27H2,1-2H3;6-7,10,13-15H,8-9,11-12H2,1-5H3,(H,23,25);2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,19);2-3,5-7H,17,19H2,1H3;3H,2H2,1H3/b;;;;9-3?,10-5?,20-6+;/t19-,20+,26?;18-,19+,25?;14-,15+,20?;10-,11+,14?;;
InChIKeyOEXZKLPEBQMQTQ-RWVLHGJZSA-N
MW2022.00 g/mol
LogP11.31
Rot. Bonds20

About 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol

4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol (PubChem CID 165111056) has the molecular formula C100H118BBrF3N27O9S and a molecular weight of 2022.00 g/mol. Its IUPAC name is 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol.

Molecular Properties

Compound Name4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol
PubChem CID165111056
Molecular FormulaC100H118BBrF3N27O9S
Molecular Weight2022.00 g/mol
Exact Mass2019.86
IUPAC Name4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol
SMILESC/N=C/C(=CN)c1cnc(C(C#N)=CN)c(OS(=O)(=O)C(F)(F)F)c1.CC1(NC=O)C[C@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1.CC1(NC=O)C[C@H]2CN(c3ccc(Br)cn3)C[C@H]2C1.CCO.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(NC=O)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1ccc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(N)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)n1
InChIInChI=1S/C26H26N8O.C25H26N8.C20H30BN3O3.C14H18BrN3O.C13H12F3N5O3S.C2H6O/c1-26(29-16-35)6-19-13-33(14-20(19)7-26)24-4-3-17(9-28-24)23-5-18(22-11-30-32(2)12-22)15-34-25(23)21(8-27)10-31-34;1-25(27)8-18-13-32(14-19(18)9-25)23-4-3-16(11-28-23)21-7-17(22-5-6-31(2)30-22)15-33-24(21)20(10-26)12-29-33;1-18(2)19(3,4)27-21(26-18)16-6-7-17(22-10-16)24-11-14-8-20(5,23-13-25)9-15(14)12-24;1-14(17-9-19)4-10-7-18(8-11(10)5-14)13-3-2-12(15)6-16-13;1-20-6-10(5-19)8-2-11(24-25(22,23)13(14,15)16)12(21-7-8)9(3-17)4-18;1-2-3/h3-5,9-12,15-16,19-20H,6-7,13-14H2,1-2H3,(H,29,35);3-7,11-12,15,18-19H,8-9,13-14,27H2,1-2H3;6-7,10,13-15H,8-9,11-12H2,1-5H3,(H,23,25);2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,19);2-3,5-7H,17,19H2,1H3;3H,2H2,1H3/b;;;;9-3?,10-5?,20-6+;/t19-,20+,26?;18-,19+,25?;14-,15+,20?;10-,11+,14?;;
InChIKeyOEXZKLPEBQMQTQ-RWVLHGJZSA-N
XLogP11.31
TPSA478.80 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms142
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002022.00
LogP ≤ 511.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol?
The IUPAC name of 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol (CID 165111056) is 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol.
What is the SMILES notation for 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol?
The canonical SMILES for 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol is C/N=C/C(=CN)c1cnc(C(C#N)=CN)c(OS(=O)(=O)C(F)(F)F)c1.CC1(NC=O)C[C@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1.CC1(NC=O)C[C@H]2CN(c3ccc(Br)cn3)C[C@H]2C1.CCO.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(NC=O)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1ccc(-c2cc(-c3ccc(N4C[C@@H]5CC(C)(N)C[C@@H]5C4)nc3)c3c(C#N)cnn3c2)n1.
What is the InChIKey of 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol?
The InChIKey is OEXZKLPEBQMQTQ-RWVLHGJZSA-N. The full InChI is InChI=1S/C26H26N8O.C25H26N8.C20H30BN3O3.C14H18BrN3O.C13H12F3N5O3S.C2H6O/c1-26(29-16-35)6-19-13-33(14-20(19)7-26)24-4-3-17(9-28-24)23-5-18(22-11-30-32(2)12-22)15-34-25(23)21(8-27)10-31-34;1-25(27)8-18-13-32(14-19(18)9-25)23-4-3-16(11-28-23)21-7-17(22-5-6-31(2)30-22)15-33-24(21)20(10-26)12-29-33;1-18(2)19(3,4)27-21(26-18)16-6-7-17(22-10-16)24-11-14-8-20(5,23-13-25)9-15(14)12-24;1-14(17-9-19)4-10-7-18(8-11(10)5-14)13-3-2-12(15)6-16-13;1-20-6-10(5-19)8-2-11(24-25(22,23)13(14,15)16)12(21-7-8)9(3-17)4-18;1-2-3/h3-5,9-12,15-16,19-20H,6-7,13-14H2,1-2H3,(H,29,35);3-7,11-12,15,18-19H,8-9,13-14,27H2,1-2H3;6-7,10,13-15H,8-9,11-12H2,1-5H3,(H,23,25);2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,19);2-3,5-7H,17,19H2,1H3;3H,2H2,1H3/b;;;;9-3?,10-5?,20-6+;/t19-,20+,26?;18-,19+,25?;14-,15+,20?;10-,11+,14?;;.
What are the key properties of 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol?
4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol has a molecular weight of 2022.00 g/mol, XLogP of 11.31, 20 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;N-[(3aS,6aR)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aR,6aS)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;N-[(3aS,6aR)-5-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]formamide;[2-(2-amino-1-cyanoethenyl)-5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl] trifluoromethanesulfonate;ethanol is sourced from PubChem (CID 165111056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).