N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

C35H42N8O6 — CID 177160061

About N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide (PubChem CID 177160061) has the molecular formula C35H42N8O6 and a molecular weight of 670.77 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
• PubChem CID: 177160061
• Molecular Formula: C35H42N8O6
• Molecular Weight: 670.77 g/mol
• Exact Mass: 670.32
• IUPAC Name: N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
• SMILES: CCc1c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)NC1CC2(C3CC3)CC1C2
• InChI: InChI=1S/C35H42N8O6/c1-2-25-29(40-8-10-41(11-9-40)32(46)28-30(45)23-7-14-49-26(23)18-36-28)33(47)43-34(38-31(39-43)20-5-12-48-13-6-20)42(25)19-27(44)37-24-17-35(22-3-4-22)15-21(24)16-35/h5,18,21-22,24,45H,2-4,6-17,19H2,1H3,(H,37,44)
• InChIKey: UHUYLRXDZMUBAO-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 156.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.77
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?

The IUPAC name of N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide (CID 177160061) is N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide.

What is the SMILES notation for N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?

The canonical SMILES for N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide is CCc1c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)NC1CC2(C3CC3)CC1C2.

What is the InChIKey of N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?

The InChIKey is UHUYLRXDZMUBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N8O6/c1-2-25-29(40-8-10-41(11-9-40)32(46)28-30(45)23-7-14-49-26(23)18-36-28)33(47)43-34(38-31(39-43)20-5-12-48-13-6-20)42(25)19-27(44)37-24-17-35(22-3-4-22)15-21(24)16-35/h5,18,21-22,24,45H,2-4,6-17,19H2,1H3,(H,37,44).

What are the key properties of N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide?

N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide has a molecular weight of 670.77 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclopropyl-2-bicyclo[2.1.1]hexanyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 177160061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).