2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile

C28H34N8O — CID 162773731

IUPAC2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCCNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2CC)CC1
InChIInChI=1S/C28H34N8O/c1-5-23-25(8-7-13-31-23)37-21-11-9-20(10-12-21)36-24-14-26(30-6-2)32-16-22(24)27(34-36)19-15-33-35(17-19)28(3,4)18-29/h7-8,13-17,20-21H,5-6,9-12H2,1-4H3,(H,30,32)
InChIKeyLPZUVSPPQUFWSE-UHFFFAOYSA-N
MW498.64 g/mol
LogP5.51
Rot. Bonds8

About 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile

2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 162773731) has the molecular formula C28H34N8O and a molecular weight of 498.64 g/mol. Its IUPAC name is 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
PubChem CID162773731
Molecular FormulaC28H34N8O
Molecular Weight498.64 g/mol
Exact Mass498.29
IUPAC Name2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCCNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2CC)CC1
InChIInChI=1S/C28H34N8O/c1-5-23-25(8-7-13-31-23)37-21-11-9-20(10-12-21)36-24-14-26(30-6-2)32-16-22(24)27(34-36)19-15-33-35(17-19)28(3,4)18-29/h7-8,13-17,20-21H,5-6,9-12H2,1-4H3,(H,30,32)
InChIKeyLPZUVSPPQUFWSE-UHFFFAOYSA-N
XLogP5.51
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.64
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile (CID 162773731) is 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile is CCNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2CC)CC1.
What is the InChIKey of 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is LPZUVSPPQUFWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O/c1-5-23-25(8-7-13-31-23)37-21-11-9-20(10-12-21)36-24-14-26(30-6-2)32-16-22(24)27(34-36)19-15-33-35(17-19)28(3,4)18-29/h7-8,13-17,20-21H,5-6,9-12H2,1-4H3,(H,30,32).
What are the key properties of 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 498.64 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(ethylamino)-1-[4-[(2-ethyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 162773731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).