7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol

C23H29N5O — CID 175516517

IUPAC7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
SMILESCC1C(N(C)c2ccc(-c3cc4cnccc4cc3O)nn2)CCN(C)C1(C)C
InChIInChI=1S/C23H29N5O/c1-15-20(9-11-27(4)23(15,2)3)28(5)22-7-6-19(25-26-22)18-12-17-14-24-10-8-16(17)13-21(18)29/h6-8,10,12-15,20,29H,9,11H2,1-5H3
InChIKeyWRUBDYFGCDMONP-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.95
Rot. Bonds3

About 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol

7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol (PubChem CID 175516517) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol.

Molecular Properties

Compound Name7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
PubChem CID175516517
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol
SMILESCC1C(N(C)c2ccc(-c3cc4cnccc4cc3O)nn2)CCN(C)C1(C)C
InChIInChI=1S/C23H29N5O/c1-15-20(9-11-27(4)23(15,2)3)28(5)22-7-6-19(25-26-22)18-12-17-14-24-10-8-16(17)13-21(18)29/h6-8,10,12-15,20,29H,9,11H2,1-5H3
InChIKeyWRUBDYFGCDMONP-UHFFFAOYSA-N
XLogP3.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The IUPAC name of 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol (CID 175516517) is 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol.
What is the SMILES notation for 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The canonical SMILES for 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol is CC1C(N(C)c2ccc(-c3cc4cnccc4cc3O)nn2)CCN(C)C1(C)C.
What is the InChIKey of 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
The InChIKey is WRUBDYFGCDMONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15-20(9-11-27(4)23(15,2)3)28(5)22-7-6-19(25-26-22)18-12-17-14-24-10-8-16(17)13-21(18)29/h6-8,10,12-15,20,29H,9,11H2,1-5H3.
What are the key properties of 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol?
7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol has a molecular weight of 391.52 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[methyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol is sourced from PubChem (CID 175516517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).