1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile

C23H19N7 — CID 108775672

IUPAC1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccn2)c1Nc1ccc(-c2ccc3c(c2)CCCC3)nn1
InChIInChI=1S/C23H19N7/c24-14-19-15-26-30(22-7-3-4-12-25-22)23(19)27-21-11-10-20(28-29-21)18-9-8-16-5-1-2-6-17(16)13-18/h3-4,7-13,15H,1-2,5-6H2,(H,27,29)
InChIKeySNMHQJPJEFKPST-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.22
Rot. Bonds4

About 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile

1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile (PubChem CID 108775672) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile
PubChem CID108775672
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccn2)c1Nc1ccc(-c2ccc3c(c2)CCCC3)nn1
InChIInChI=1S/C23H19N7/c24-14-19-15-26-30(22-7-3-4-12-25-22)23(19)27-21-11-10-20(28-29-21)18-9-8-16-5-1-2-6-17(16)13-18/h3-4,7-13,15H,1-2,5-6H2,(H,27,29)
InChIKeySNMHQJPJEFKPST-UHFFFAOYSA-N
XLogP4.22
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile 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 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile?
The IUPAC name of 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile (CID 108775672) is 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile is N#Cc1cnn(-c2ccccn2)c1Nc1ccc(-c2ccc3c(c2)CCCC3)nn1.
What is the InChIKey of 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile?
The InChIKey is SNMHQJPJEFKPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c24-14-19-15-26-30(22-7-3-4-12-25-22)23(19)27-21-11-10-20(28-29-21)18-9-8-16-5-1-2-6-17(16)13-18/h3-4,7-13,15H,1-2,5-6H2,(H,27,29).
What are the key properties of 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile?
1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile has a molecular weight of 393.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 108775672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).