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

C28H35N7O — CID 136607523

IUPAC2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCc1cc(-c2cnn(C)c2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C28H35N7O/c1-17-10-20(18-15-29-34(6)16-18)21-11-22(25(36)12-24(21)30-17)23-8-9-26(32-31-23)35(7)19-13-27(2,3)33-28(4,5)14-19/h8-12,15-16,19,33,36H,13-14H2,1-7H3
InChIKeyCAXSNQIZSZMCCE-UHFFFAOYSA-N
MW485.64 g/mol
LogP4.85
Rot. Bonds4

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

2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136607523) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID136607523
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCc1cc(-c2cnn(C)c2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C28H35N7O/c1-17-10-20(18-15-29-34(6)16-18)21-11-22(25(36)12-24(21)30-17)23-8-9-26(32-31-23)35(7)19-13-27(2,3)33-28(4,5)14-19/h8-12,15-16,19,33,36H,13-14H2,1-7H3
InChIKeyCAXSNQIZSZMCCE-UHFFFAOYSA-N
XLogP4.85
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 136607523) is 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is Cc1cc(-c2cnn(C)c2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.
What is the InChIKey of 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is CAXSNQIZSZMCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-17-10-20(18-15-29-34(6)16-18)21-11-22(25(36)12-24(21)30-17)23-8-9-26(32-31-23)35(7)19-13-27(2,3)33-28(4,5)14-19/h8-12,15-16,19,33,36H,13-14H2,1-7H3.
What are the key properties of 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 485.64 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpyrazol-4-yl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136607523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).