6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide

C42H59N9O4 — CID 14787995

IUPAC6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide
SMILESCCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN3CCOCC3)C(C)C)nnc12
InChIInChI=1S/C42H59N9O4/c1-4-10-35-40-49-48-39(51(40)28-37(46-35)32-14-9-16-44-27-32)34(23-31-13-8-15-43-26-31)42(54)47-36(24-30-11-6-5-7-12-30)38(52)25-33(29(2)3)41(53)45-17-18-50-19-21-55-22-20-50/h8-9,13-16,26-30,33-34,36,38,52H,4-7,10-12,17-25H2,1-3H3,(H,45,53)(H,47,54)
InChIKeyBLFUASLRZDWGFS-UHFFFAOYSA-N
MW753.99 g/mol
LogP4.79
Rot. Bonds18

About 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide

6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide (PubChem CID 14787995) has the molecular formula C42H59N9O4 and a molecular weight of 753.99 g/mol. Its IUPAC name is 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide.

Molecular Properties

Compound Name6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide
PubChem CID14787995
Molecular FormulaC42H59N9O4
Molecular Weight753.99 g/mol
Exact Mass753.47
IUPAC Name6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide
SMILESCCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN3CCOCC3)C(C)C)nnc12
InChIInChI=1S/C42H59N9O4/c1-4-10-35-40-49-48-39(51(40)28-37(46-35)32-14-9-16-44-27-32)34(23-31-13-8-15-43-26-31)42(54)47-36(24-30-11-6-5-7-12-30)38(52)25-33(29(2)3)41(53)45-17-18-50-19-21-55-22-20-50/h8-9,13-16,26-30,33-34,36,38,52H,4-7,10-12,17-25H2,1-3H3,(H,45,53)(H,47,54)
InChIKeyBLFUASLRZDWGFS-UHFFFAOYSA-N
XLogP4.79
TPSA159.76 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide?
The IUPAC name of 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide (CID 14787995) is 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide.
What is the SMILES notation for 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide?
The canonical SMILES for 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide is CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN3CCOCC3)C(C)C)nnc12.
What is the InChIKey of 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide?
The InChIKey is BLFUASLRZDWGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H59N9O4/c1-4-10-35-40-49-48-39(51(40)28-37(46-35)32-14-9-16-44-27-32)34(23-31-13-8-15-43-26-31)42(54)47-36(24-30-11-6-5-7-12-30)38(52)25-33(29(2)3)41(53)45-17-18-50-19-21-55-22-20-50/h8-9,13-16,26-30,33-34,36,38,52H,4-7,10-12,17-25H2,1-3H3,(H,45,53)(H,47,54).
What are the key properties of 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide?
6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide has a molecular weight of 753.99 g/mol, XLogP of 4.79, 18 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide is sourced from PubChem (CID 14787995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).