1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

C20H26N4O3 — CID 137029589

IUPAC1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C20H26N4O3/c1-20(2,27-3)19(26)24-10-8-13(9-11-24)15-12-16(22-23-18(15)21)14-6-4-5-7-17(14)25/h4-7,12-13,25H,8-11H2,1-3H3,(H2,21,23)
InChIKeyZQXLXXLGLMQKBX-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.56
Rot. Bonds4

About 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 137029589) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID137029589
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C20H26N4O3/c1-20(2,27-3)19(26)24-10-8-13(9-11-24)15-12-16(22-23-18(15)21)14-6-4-5-7-17(14)25/h4-7,12-13,25H,8-11H2,1-3H3,(H2,21,23)
InChIKeyZQXLXXLGLMQKBX-UHFFFAOYSA-N
XLogP2.56
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one with MolForge

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Related Compounds

US10308614, Example 189
CID 137029365
US10308614, Example 223
CID 137029397
US10308614, Example 146
CID 137029423
US10308614, Example 229
CID 137029429
US10308614, Example 216
CID 137029440
US10308614, Example 214
CID 137029489
US10308614, Example 211
CID 137029491
US10308614, Example 134
CID 137029509
((S)-4-(3-amino-6-(2-
CID 137029521
((R)-4-(3-amino-6-(2-
CID 137029525
US10308614, Example 145
CID 137029530
2-(6-Amino-5-(1-benzylpiperidin-4-yl)pyridazin-3-yl)phenol
CID 137029557

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 137029589) is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is ZQXLXXLGLMQKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,27-3)19(26)24-10-8-13(9-11-24)15-12-16(22-23-18(15)21)14-6-4-5-7-17(14)25/h4-7,12-13,25H,8-11H2,1-3H3,(H2,21,23).
What are the key properties of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 137029589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).