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

C29H34N8O — CID 138715149

IUPAC2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCCNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2C2CC2)CC1
InChIInChI=1S/C29H34N8O/c1-4-31-26-14-24-23(16-33-26)27(20-15-34-36(17-20)29(2,3)18-30)35-37(24)21-9-11-22(12-10-21)38-25-6-5-13-32-28(25)19-7-8-19/h5-6,13-17,19,21-22H,4,7-12H2,1-3H3,(H,31,33)
InChIKeyZRCUBFAHEMHGPQ-UHFFFAOYSA-N
MW510.65 g/mol
LogP5.82
Rot. Bonds8

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

2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 138715149) has the molecular formula C29H34N8O and a molecular weight of 510.65 g/mol. Its IUPAC name is 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
PubChem CID138715149
Molecular FormulaC29H34N8O
Molecular Weight510.65 g/mol
Exact Mass510.29
IUPAC Name2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCCNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2C2CC2)CC1
InChIInChI=1S/C29H34N8O/c1-4-31-26-14-24-23(16-33-26)27(20-15-34-36(17-20)29(2,3)18-30)35-37(24)21-9-11-22(12-10-21)38-25-6-5-13-32-28(25)19-7-8-19/h5-6,13-17,19,21-22H,4,7-12H2,1-3H3,(H,31,33)
InChIKeyZRCUBFAHEMHGPQ-UHFFFAOYSA-N
XLogP5.82
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.65
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)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-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile (CID 138715149) is 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile is CCNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2C2CC2)CC1.
What is the InChIKey of 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is ZRCUBFAHEMHGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O/c1-4-31-26-14-24-23(16-33-26)27(20-15-34-36(17-20)29(2,3)18-30)35-37(24)21-9-11-22(12-10-21)38-25-6-5-13-32-28(25)19-7-8-19/h5-6,13-17,19,21-22H,4,7-12H2,1-3H3,(H,31,33).
What are the key properties of 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 510.65 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 138715149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).