N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

C85H81Cl4F3N10O7 — CID 158535671

About N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (PubChem CID 158535671) has the molecular formula C85H81Cl4F3N10O7 and a molecular weight of 1553.45 g/mol. Its IUPAC name is N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

• Compound Name: N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
• PubChem CID: 158535671
• Molecular Formula: C85H81Cl4F3N10O7
• Molecular Weight: 1553.45 g/mol
• Exact Mass: 1550.50
• IUPAC Name: N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
• SMILES: C=C(C)OCC(=O)N(Cc1ccc2c(c1)c1ccccc1n2Cc1cc(Cl)ccc1Cl)CC1CCC(C#N)CC1.C=C1c2ncc3c(c2C(O)N1CCN1CCOCC1)c1ccccc1n3Cc1cc(Cl)ccc1Cl.O=C(OCCN1CCOCC1)c1cc2c3ccccc3n(Cc3ccc(F)c(F)c3F)c2cn1
• InChI: InChI=1S/C33H33Cl2N3O2.C27H26Cl2N4O2.C25H22F3N3O3/c1-22(2)40-21-33(39)37(18-24-9-7-23(17-36)8-10-24)19-25-11-14-32-29(15-25)28-5-3-4-6-31(28)38(32)20-26-16-27(34)12-13-30(26)35;1-17-26-25(27(34)32(17)9-8-31-10-12-35-13-11-31)24-20-4-2-3-5-22(20)33(23(24)15-30-26)16-18-14-19(28)6-7-21(18)29;26-19-6-5-16(23(27)24(19)28)15-31-21-4-2-1-3-17(21)18-13-20(29-14-22(18)31)25(32)34-12-9-30-7-10-33-11-8-30/h3-6,11-16,23-24H,1,7-10,18-21H2,2H3;2-7,14-15,27,34H,1,8-13,16H2;1-6,13-14H,7-12,15H2
• InChIKey: HNXLWIVCHGYHFB-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 168.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1553.45
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The IUPAC name of N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (CID 158535671) is N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

What is the SMILES notation for N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The canonical SMILES for N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is C=C(C)OCC(=O)N(Cc1ccc2c(c1)c1ccccc1n2Cc1cc(Cl)ccc1Cl)CC1CCC(C#N)CC1.C=C1c2ncc3c(c2C(O)N1CCN1CCOCC1)c1ccccc1n3Cc1cc(Cl)ccc1Cl.O=C(OCCN1CCOCC1)c1cc2c3ccccc3n(Cc3ccc(F)c(F)c3F)c2cn1.

What is the InChIKey of N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The InChIKey is HNXLWIVCHGYHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33Cl2N3O2.C27H26Cl2N4O2.C25H22F3N3O3/c1-22(2)40-21-33(39)37(18-24-9-7-23(17-36)8-10-24)19-25-11-14-32-29(15-25)28-5-3-4-6-31(28)38(32)20-26-16-27(34)12-13-30(26)35;1-17-26-25(27(34)32(17)9-8-31-10-12-35-13-11-31)24-20-4-2-3-5-22(20)33(23(24)15-30-26)16-18-14-19(28)6-7-21(18)29;26-19-6-5-16(23(27)24(19)28)15-31-21-4-2-1-3-17(21)18-13-20(29-14-22(18)31)25(32)34-12-9-30-7-10-33-11-8-30/h3-6,11-16,23-24H,1,7-10,18-21H2,2H3;2-7,14-15,27,34H,1,8-13,16H2;1-6,13-14H,7-12,15H2.

What are the key properties of N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 1553.45 g/mol, XLogP of 17.66, 20 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyanocyclohexyl)methyl]-N-[[9-[(2,5-dichlorophenyl)methyl]carbazol-3-yl]methyl]-2-prop-1-en-2-yloxyacetamide;10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-(2-morpholin-4-ylethyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;2-morpholin-4-ylethyl 9-[(2,3,4-trifluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 158535671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).