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

C28H35N9O — CID 138715408

IUPAC2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2CN(C)C)CC1
InChIInChI=1S/C28H35N9O/c1-28(2,18-29)36-16-19(14-33-36)27-22-15-32-26(30-3)13-24(22)37(34-27)20-8-10-21(11-9-20)38-25-7-6-12-31-23(25)17-35(4)5/h6-7,12-16,20-21H,8-11,17H2,1-5H3,(H,30,32)
InChIKeyLUCILDQKERZJEB-UHFFFAOYSA-N
MW513.65 g/mol
LogP4.61
Rot. Bonds8

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

2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 138715408) has the molecular formula C28H35N9O and a molecular weight of 513.65 g/mol. Its IUPAC name is 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
PubChem CID138715408
Molecular FormulaC28H35N9O
Molecular Weight513.65 g/mol
Exact Mass513.30
IUPAC Name2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2CN(C)C)CC1
InChIInChI=1S/C28H35N9O/c1-28(2,18-29)36-16-19(14-33-36)27-22-15-32-26(30-3)13-24(22)37(34-27)20-8-10-21(11-9-20)38-25-7-6-12-31-23(25)17-35(4)5/h6-7,12-16,20-21H,8-11,17H2,1-5H3,(H,30,32)
InChIKeyLUCILDQKERZJEB-UHFFFAOYSA-N
XLogP4.61
TPSA109.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.65
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile 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 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile (CID 138715408) is 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile is CNc1cc2c(cn1)c(-c1cnn(C(C)(C)C#N)c1)nn2C1CCC(Oc2cccnc2CN(C)C)CC1.
What is the InChIKey of 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is LUCILDQKERZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N9O/c1-28(2,18-29)36-16-19(14-33-36)27-22-15-32-26(30-3)13-24(22)37(34-27)20-8-10-21(11-9-20)38-25-7-6-12-31-23(25)17-35(4)5/h6-7,12-16,20-21H,8-11,17H2,1-5H3,(H,30,32).
What are the key properties of 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile?
2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 513.65 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 138715408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).