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

C29H36N8O — CID 138715147

IUPAC2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-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(Oc2cccnc2C(C)C)CC1
InChIInChI=1S/C29H36N8O/c1-6-31-26-14-24-23(16-33-26)28(20-15-34-36(17-20)29(4,5)18-30)35-37(24)21-9-11-22(12-10-21)38-25-8-7-13-32-27(25)19(2)3/h7-8,13-17,19,21-22H,6,9-12H2,1-5H3,(H,31,33)
InChIKeyDOKMDLZQSRWMHM-UHFFFAOYSA-N
MW512.66 g/mol
LogP6.07
Rot. Bonds8

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

2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 138715147) has the molecular formula C29H36N8O and a molecular weight of 512.66 g/mol. Its IUPAC name is 2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-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-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
PubChem CID138715147
Molecular FormulaC29H36N8O
Molecular Weight512.66 g/mol
Exact Mass512.30
IUPAC Name2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-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(Oc2cccnc2C(C)C)CC1
InChIInChI=1S/C29H36N8O/c1-6-31-26-14-24-23(16-33-26)28(20-15-34-36(17-20)29(4,5)18-30)35-37(24)21-9-11-22(12-10-21)38-25-8-7-13-32-27(25)19(2)3/h7-8,13-17,19,21-22H,6,9-12H2,1-5H3,(H,31,33)
InChIKeyDOKMDLZQSRWMHM-UHFFFAOYSA-N
XLogP6.07
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-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-propan-2-yl-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-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile (CID 138715147) is 2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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(Oc2cccnc2C(C)C)CC1.
What is the InChIKey of 2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is DOKMDLZQSRWMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O/c1-6-31-26-14-24-23(16-33-26)28(20-15-34-36(17-20)29(4,5)18-30)35-37(24)21-9-11-22(12-10-21)38-25-8-7-13-32-27(25)19(2)3/h7-8,13-17,19,21-22H,6,9-12H2,1-5H3,(H,31,33).
What are the key properties of 2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
2-[4-[6-(ethylamino)-1-[4-[(2-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 512.66 g/mol, XLogP of 6.07, 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-propan-2-yl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 138715147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).