6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C28H39N7O2 — CID 129219766

IUPAC6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1nc(-c2cnn(C3CCCCO3)c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C28H39N7O2/c1-27(2)15-20(16-28(3,4)33-27)34(5)24-13-12-23(31-32-24)21-10-11-22(30-26(21)36-6)19-17-29-35(18-19)25-9-7-8-14-37-25/h10-13,17-18,20,25,33H,7-9,14-16H2,1-6H3
InChIKeyIERHXAQIXLHQKX-UHFFFAOYSA-N
MW505.67 g/mol
LogP4.86
Rot. Bonds6

About 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 129219766) has the molecular formula C28H39N7O2 and a molecular weight of 505.67 g/mol. Its IUPAC name is 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID129219766
Molecular FormulaC28H39N7O2
Molecular Weight505.67 g/mol
Exact Mass505.32
IUPAC Name6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCOc1nc(-c2cnn(C3CCCCO3)c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C28H39N7O2/c1-27(2)15-20(16-28(3,4)33-27)34(5)24-13-12-23(31-32-24)21-10-11-22(30-26(21)36-6)19-17-29-35(18-19)25-9-7-8-14-37-25/h10-13,17-18,20,25,33H,7-9,14-16H2,1-6H3
InChIKeyIERHXAQIXLHQKX-UHFFFAOYSA-N
XLogP4.86
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.67
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 129219766) is 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is COc1nc(-c2cnn(C3CCCCO3)c2)ccc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is IERHXAQIXLHQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7O2/c1-27(2)15-20(16-28(3,4)33-27)34(5)24-13-12-23(31-32-24)21-10-11-22(30-26(21)36-6)19-17-29-35(18-19)25-9-7-8-14-37-25/h10-13,17-18,20,25,33H,7-9,14-16H2,1-6H3.
What are the key properties of 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 505.67 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 129219766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).