4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H28N6O3 — CID 176919275

IUPAC4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(NC2CCC(Oc3cc(C45CCOCC4C5)cn4ncc(C#N)c34)CC2)nn1
InChIInChI=1S/C25H28N6O3/c1-32-23-7-6-22(29-30-23)28-19-2-4-20(5-3-19)34-21-10-17(25-8-9-33-15-18(25)11-25)14-31-24(21)16(12-26)13-27-31/h6-7,10,13-14,18-20H,2-5,8-9,11,15H2,1H3,(H,28,29)
InChIKeyJPNIXHZDPUBFOZ-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.48
Rot. Bonds6

About 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176919275) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID176919275
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(NC2CCC(Oc3cc(C45CCOCC4C5)cn4ncc(C#N)c34)CC2)nn1
InChIInChI=1S/C25H28N6O3/c1-32-23-7-6-22(29-30-23)28-19-2-4-20(5-3-19)34-21-10-17(25-8-9-33-15-18(25)11-25)14-31-24(21)16(12-26)13-27-31/h6-7,10,13-14,18-20H,2-5,8-9,11,15H2,1H3,(H,28,29)
InChIKeyJPNIXHZDPUBFOZ-UHFFFAOYSA-N
XLogP3.48
TPSA106.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919234
2-[[4-[3-cyano-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridin-4-yl]oxycyclohexyl]amino]-N-methylpyrimidine-4-carboxamide
CID 176919261
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine
CID 134604932
6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919279
6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919221
4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919262
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
CID 86280904
6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118870020
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
N-[5-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-2-methyl-2-bicyclo[2.2.2]octanyl]prop-2-ynamide
CID 146667821
6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146627105

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176919275) is 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(NC2CCC(Oc3cc(C45CCOCC4C5)cn4ncc(C#N)c34)CC2)nn1.
What is the InChIKey of 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JPNIXHZDPUBFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-32-23-7-6-22(29-30-23)28-19-2-4-20(5-3-19)34-21-10-17(25-8-9-33-15-18(25)11-25)14-31-24(21)16(12-26)13-27-31/h6-7,10,13-14,18-20H,2-5,8-9,11,15H2,1H3,(H,28,29).
What are the key properties of 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 460.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176919275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).