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

C21H22N6O2 — CID 137029552

IUPAC[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@@H]1CN(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)/t14-/m1/s1
InChIKeyWSWDIDIRVDTXAP-CQSZACIVSA-N
MW390.45 g/mol
LogP2.18
Rot. Bonds3

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

[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 137029552) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID137029552
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@@H]1CN(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)/t14-/m1/s1
InChIKeyWSWDIDIRVDTXAP-CQSZACIVSA-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

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

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Related Compounds

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 62
CID 137029454
US10308614, Example 61
CID 137029469
US10308614, Example 125
CID 137029481
US10308614, Example 138
CID 137029488
US10308614, Example 135
CID 137029524
2-(6-Amino-5-(8-(pyridin-
CID 137029535
US10308614, Example 88
CID 137029542
US10308614, Example 98
CID 137029558
US10308614, Example 155
CID 137029583

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 137029552) is [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone is C[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1cccnc1.
What is the InChIKey of [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is WSWDIDIRVDTXAP-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
[(2R)-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 [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 137029552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).