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

C21H22N6O2 — CID 137029524

IUPAC[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1cccnc1
InChIInChI=1S/C21H22N6O2/c1-14-13-26(9-10-27(14)21(29)15-5-4-8-23-12-15)18-11-17(24-25-20(18)22)16-6-2-3-7-19(16)28/h2-8,11-12,14,28H,9-10,13H2,1H3,(H2,22,25)
InChIKeyWSWDIDIRVDTXAP-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.18
Rot. Bonds3

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

[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 137029524) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID137029524
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1cccnc1
InChIInChI=1S/C21H22N6O2/c1-14-13-26(9-10-27(14)21(29)15-5-4-8-23-12-15)18-11-17(24-25-20(18)22)16-6-2-3-7-19(16)28/h2-8,11-12,14,28H,9-10,13H2,1H3,(H2,22,25)
InChIKeyWSWDIDIRVDTXAP-UHFFFAOYSA-N
XLogP2.18
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 137029521
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
N-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 170700230
[(2S)-2-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]-phenylmethanone
CID 25195455
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781
2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol
CID 174366750
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1-phenylpiperazin-2-one
CID 137029448
2-[6-amino-5-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol;6-chloro-4-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyridazin-3-amine;6-chloro-4-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-amine
CID 161189248

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 137029524) is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone is CC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1cccnc1.
What is the InChIKey of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is WSWDIDIRVDTXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-13-26(9-10-27(14)21(29)15-5-4-8-23-12-15)18-11-17(24-25-20(18)22)16-6-2-3-7-19(16)28/h2-8,11-12,14,28H,9-10,13H2,1H3,(H2,22,25).
What are the key properties of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 390.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 137029524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).