sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide

C70H70ClF12N10NaO6 — CID 157364082

About sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide

sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide (PubChem CID 157364082) has the molecular formula C70H70ClF12N10NaO6 and a molecular weight of 1433.81 g/mol. Its IUPAC name is sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide.

Molecular Properties

• Compound Name: sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
• PubChem CID: 157364082
• Molecular Formula: C70H70ClF12N10NaO6
• Molecular Weight: 1433.81 g/mol
• Exact Mass: 1432.49
• IUPAC Name: sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
• SMILES: CC(=O)Cl.CC(=O)n1c2c(c3cc(C(=O)NC4CCN(Cc5cccnc5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3.[H-].[Na+]
• InChI: InChI=1S/C33H34F3N5O2.C31H32F3N5O.C4F6O2.C2H3ClO.Na.H/c1-22(42)41-30-9-6-25(32(43)38-27-10-14-39(15-11-27)20-24-3-2-13-37-18-24)17-28(30)29-21-40(16-12-31(29)41)19-23-4-7-26(8-5-23)33(34,35)36;32-31(33,34)24-6-3-21(4-7-24)18-39-15-11-29-27(20-39)26-16-23(5-8-28(26)37-29)30(40)36-25-9-13-38(14-10-25)19-22-2-1-12-35-17-22;5-3(6,7)1(11)2(12)4(8,9)10;1-2(3)4;;/h2-9,13,17-18,27H,10-12,14-16,19-21H2,1H3,(H,38,43);1-8,12,16-17,25,37H,9-11,13-15,18-20H2,(H,36,40);;1H3;;/q;;;;+1;-1
• InChIKey: MDLXLBNIWZEIEX-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 185.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.81
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?

The IUPAC name of sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide (CID 157364082) is sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide.

What is the SMILES notation for sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?

The canonical SMILES for sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide is CC(=O)Cl.CC(=O)n1c2c(c3cc(C(=O)NC4CCN(Cc5cccnc5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3.[H-].[Na+].

What is the InChIKey of sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?

The InChIKey is MDLXLBNIWZEIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N5O2.C31H32F3N5O.C4F6O2.C2H3ClO.Na.H/c1-22(42)41-30-9-6-25(32(43)38-27-10-14-39(15-11-27)20-24-3-2-13-37-18-24)17-28(30)29-21-40(16-12-31(29)41)19-23-4-7-26(8-5-23)33(34,35)36;32-31(33,34)24-6-3-21(4-7-24)18-39-15-11-29-27(20-39)26-16-23(5-8-28(26)37-29)30(40)36-25-9-13-38(14-10-25)19-22-2-1-12-35-17-22;5-3(6,7)1(11)2(12)4(8,9)10;1-2(3)4;;/h2-9,13,17-18,27H,10-12,14-16,19-21H2,1H3,(H,38,43);1-8,12,16-17,25,37H,9-11,13-15,18-20H2,(H,36,40);;1H3;;/q;;;;+1;-1.

What are the key properties of sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?

sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide has a molecular weight of 1433.81 g/mol, XLogP of 10.34, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetyl chloride;5-acetyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione;hydride;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide is sourced from PubChem (CID 157364082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).