1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone

C22H24N6O2 — CID 137029481

IUPAC1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)Cc1ccccn1
InChIInChI=1S/C22H24N6O2/c1-15-14-27(10-11-28(15)21(30)12-16-6-4-5-9-24-16)19-13-18(25-26-22(19)23)17-7-2-3-8-20(17)29/h2-9,13,15,29H,10-12,14H2,1H3,(H2,23,26)
InChIKeyVHNHMSGXIIEVAR-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.11
Rot. Bonds4

About 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 137029481) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID137029481
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)Cc1ccccn1
InChIInChI=1S/C22H24N6O2/c1-15-14-27(10-11-28(15)21(30)12-16-6-4-5-9-24-16)19-13-18(25-26-22(19)23)17-7-2-3-8-20(17)29/h2-9,13,15,29H,10-12,14H2,1H3,(H2,23,26)
InChIKeyVHNHMSGXIIEVAR-UHFFFAOYSA-N
XLogP2.11
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

Gne-064
CID 137029447
US10308614, Example 75
CID 137029374
2-{6-Amino-5-[8-(2-fluoropyridin-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl}phenol
CID 137029540
US10308614, Example 51
CID 137277875
2-(6-Amino-5-(4-(pyridin-
CID 137029368
US10308614, Example 150
CID 137029373
US10308614, Example 74
CID 137029377
US10308614, Example 132
CID 137029390
US10308614, Example 4
CID 137029408
US10308614, Example 107
CID 137029420
US10308614, Example 149
CID 137029421
US10308614, Example 146
CID 137029423

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone (CID 137029481) is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone is CC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)Cc1ccccn1.
What is the InChIKey of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is VHNHMSGXIIEVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15-14-27(10-11-28(15)21(30)12-16-6-4-5-9-24-16)19-13-18(25-26-22(19)23)17-7-2-3-8-20(17)29/h2-9,13,15,29H,10-12,14H2,1H3,(H2,23,26).
What are the key properties of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 404.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 137029481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).