2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide

C21H25ClN6O2 — CID 59574823

IUPAC2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide
SMILESCC(NC(=O)Cn1ncc(NC23CC4CC(CC2C4)C3)c(Cl)c1=O)c1ccncn1
InChIInChI=1S/C21H25ClN6O2/c1-12(16-2-3-23-11-24-16)26-18(29)10-28-20(30)19(22)17(9-25-28)27-21-7-13-4-14(8-21)6-15(21)5-13/h2-3,9,11-15,27H,4-8,10H2,1H3,(H,26,29)
InChIKeyFCVLHXYQEUBPIP-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.55
Rot. Bonds6

About 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide

2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide (PubChem CID 59574823) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide
PubChem CID59574823
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC Name2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide
SMILESCC(NC(=O)Cn1ncc(NC23CC4CC(CC2C4)C3)c(Cl)c1=O)c1ccncn1
InChIInChI=1S/C21H25ClN6O2/c1-12(16-2-3-23-11-24-16)26-18(29)10-28-20(30)19(22)17(9-25-28)27-21-7-13-4-14(8-21)6-15(21)5-13/h2-3,9,11-15,27H,4-8,10H2,1H3,(H,26,29)
InChIKeyFCVLHXYQEUBPIP-UHFFFAOYSA-N
XLogP2.55
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide?
The IUPAC name of 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide (CID 59574823) is 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide?
The canonical SMILES for 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide is CC(NC(=O)Cn1ncc(NC23CC4CC(CC2C4)C3)c(Cl)c1=O)c1ccncn1.
What is the InChIKey of 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide?
The InChIKey is FCVLHXYQEUBPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2/c1-12(16-2-3-23-11-24-16)26-18(29)10-28-20(30)19(22)17(9-25-28)27-21-7-13-4-14(8-21)6-15(21)5-13/h2-3,9,11-15,27H,4-8,10H2,1H3,(H,26,29).
What are the key properties of 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide?
2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide has a molecular weight of 428.92 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-oxo-4-(3-tricyclo[3.3.1.03,7]nonanylamino)pyridazin-1-yl]-N-(1-pyrimidin-4-ylethyl)acetamide is sourced from PubChem (CID 59574823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).