[(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine

C48H58N12O9 — CID 165059166

IUPAC[(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine
SMILESCOc1ccc(Oc2cnc(C(=O)N3CC[C@H](c4nnc(N)cc4C)C[C@@H]3C)cc2OC)cn1.COc1ccc(Oc2cnc(C(=O)O)cc2OC)cn1.Cc1cc(N)nnc1[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C24H28N6O4.C13H12N2O5.C11H18N4/c1-14-9-21(25)28-29-23(14)16-7-8-30(15(2)10-16)24(31)18-11-19(32-3)20(13-26-18)34-17-5-6-22(33-4)27-12-17;1-18-10-5-9(13(16)17)14-7-11(10)20-8-3-4-12(19-2)15-6-8;1-7-5-10(12)14-15-11(7)9-3-4-13-8(2)6-9/h5-6,9,11-13,15-16H,7-8,10H2,1-4H3,(H2,25,28);3-7H,1-2H3,(H,16,17);5,8-9,13H,3-4,6H2,1-2H3,(H2,12,14)/t15-,16-;;8-,9-/m0.0/s1
InChIKeyQXNCDMQNLGIIHQ-WQUUZRBXSA-N
MW947.07 g/mol
LogP6.58
Rot. Bonds12

About [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine

[(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine (PubChem CID 165059166) has the molecular formula C48H58N12O9 and a molecular weight of 947.07 g/mol. Its IUPAC name is [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine.

Molecular Properties

Compound Name[(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine
PubChem CID165059166
Molecular FormulaC48H58N12O9
Molecular Weight947.07 g/mol
Exact Mass946.44
IUPAC Name[(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine
SMILESCOc1ccc(Oc2cnc(C(=O)N3CC[C@H](c4nnc(N)cc4C)C[C@@H]3C)cc2OC)cn1.COc1ccc(Oc2cnc(C(=O)O)cc2OC)cn1.Cc1cc(N)nnc1[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C24H28N6O4.C13H12N2O5.C11H18N4/c1-14-9-21(25)28-29-23(14)16-7-8-30(15(2)10-16)24(31)18-11-19(32-3)20(13-26-18)34-17-5-6-22(33-4)27-12-17;1-18-10-5-9(13(16)17)14-7-11(10)20-8-3-4-12(19-2)15-6-8;1-7-5-10(12)14-15-11(7)9-3-4-13-8(2)6-9/h5-6,9,11-13,15-16H,7-8,10H2,1-4H3,(H2,25,28);3-7H,1-2H3,(H,16,17);5,8-9,13H,3-4,6H2,1-2H3,(H2,12,14)/t15-,16-;;8-,9-/m0.0/s1
InChIKeyQXNCDMQNLGIIHQ-WQUUZRBXSA-N
XLogP6.58
TPSA280.18 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.07
LogP ≤ 56.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine?
The IUPAC name of [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine (CID 165059166) is [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine.
What is the SMILES notation for [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine?
The canonical SMILES for [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine is COc1ccc(Oc2cnc(C(=O)N3CC[C@H](c4nnc(N)cc4C)C[C@@H]3C)cc2OC)cn1.COc1ccc(Oc2cnc(C(=O)O)cc2OC)cn1.Cc1cc(N)nnc1[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine?
The InChIKey is QXNCDMQNLGIIHQ-WQUUZRBXSA-N. The full InChI is InChI=1S/C24H28N6O4.C13H12N2O5.C11H18N4/c1-14-9-21(25)28-29-23(14)16-7-8-30(15(2)10-16)24(31)18-11-19(32-3)20(13-26-18)34-17-5-6-22(33-4)27-12-17;1-18-10-5-9(13(16)17)14-7-11(10)20-8-3-4-12(19-2)15-6-8;1-7-5-10(12)14-15-11(7)9-3-4-13-8(2)6-9/h5-6,9,11-13,15-16H,7-8,10H2,1-4H3,(H2,25,28);3-7H,1-2H3,(H,16,17);5,8-9,13H,3-4,6H2,1-2H3,(H2,12,14)/t15-,16-;;8-,9-/m0.0/s1.
What are the key properties of [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine?
[(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine has a molecular weight of 947.07 g/mol, XLogP of 6.58, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine is sourced from PubChem (CID 165059166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).