cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane

C35H41CsN10O3 — CID 162374338

About cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane

cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane (PubChem CID 162374338) has the molecular formula C35H41CsN10O3 and a molecular weight of 782.69 g/mol. Its IUPAC name is cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane.

Molecular Properties

• Compound Name: cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane
• PubChem CID: 162374338
• Molecular Formula: C35H41CsN10O3
• Molecular Weight: 782.69 g/mol
• Exact Mass: 782.24
• IUPAC Name: cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane
• SMILES: CC.CC(=O)N1CCCc2cc(-c3ccc(CNC(=O)c4nc5c(N6CCOCC6)nc(-c6cnc(N)nc6)cn5n4)cc3)ccc21.[CH3-].[Cs+]
• InChI: InChI=1S/C32H32N10O3.C2H6.CH3.Cs/c1-20(43)41-10-2-3-24-15-23(8-9-27(24)41)22-6-4-21(5-7-22)16-34-31(44)28-38-30-29(40-11-13-45-14-12-40)37-26(19-42(30)39-28)25-17-35-32(33)36-18-25;1-2;;/h4-9,15,17-19H,2-3,10-14,16H2,1H3,(H,34,44)(H2,33,35,36);1-2H3;1H3;/q;;-1;+1
• InChIKey: FWMFOBTTYHSUFV-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 156.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.69
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane?

The IUPAC name of cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane (CID 162374338) is cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane.

What is the SMILES notation for cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane?

The canonical SMILES for cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane is CC.CC(=O)N1CCCc2cc(-c3ccc(CNC(=O)c4nc5c(N6CCOCC6)nc(-c6cnc(N)nc6)cn5n4)cc3)ccc21.[CH3-].[Cs+].

What is the InChIKey of cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane?

The InChIKey is FWMFOBTTYHSUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N10O3.C2H6.CH3.Cs/c1-20(43)41-10-2-3-24-15-23(8-9-27(24)41)22-6-4-21(5-7-22)16-34-31(44)28-38-30-29(40-11-13-45-14-12-40)37-26(19-42(30)39-28)25-17-35-32(33)36-18-25;1-2;;/h4-9,15,17-19H,2-3,10-14,16H2,1H3,(H,34,44)(H2,33,35,36);1-2H3;1H3;/q;;-1;+1.

What are the key properties of cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane?

cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane has a molecular weight of 782.69 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cesium;N-[[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide;carbanide;ethane is sourced from PubChem (CID 162374338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).