6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one

C20H24N6O3 — CID 86270859

IUPAC6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccnn3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C20H24N6O3/c1-25-14(6-7-23-25)10-21-18-9-19(24-26(2)20(18)27)29-12-13-8-16(13)17-5-4-15(28-3)11-22-17/h4-7,9,11,13,16,21H,8,10,12H2,1-3H3/t13-,16+/m1/s1
InChIKeyKQDLHFVORNMAEN-CJNGLKHVSA-N
MW396.45 g/mol
LogP1.71
Rot. Bonds8

About 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one

6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one (PubChem CID 86270859) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one
PubChem CID86270859
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccnn3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C20H24N6O3/c1-25-14(6-7-23-25)10-21-18-9-19(24-26(2)20(18)27)29-12-13-8-16(13)17-5-4-15(28-3)11-22-17/h4-7,9,11,13,16,21H,8,10,12H2,1-3H3/t13-,16+/m1/s1
InChIKeyKQDLHFVORNMAEN-CJNGLKHVSA-N
XLogP1.71
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

Cyp4A11/cyp4F2-IN-2
CID 130360508
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide
CID 130360895
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
CID 155790580
cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 155790650
1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
CID 155790660
methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 155790698
N-methyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 156061386
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one
CID 86270493
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(6-methylpyridazin-3-yl)methylamino]pyridazin-3-one
CID 86270495
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridazin-3-one
CID 86270669
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridazin-3-one
CID 86270671

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one (CID 86270859) is 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one is COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccnn3C)c(=O)n(C)n2)nc1.
What is the InChIKey of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The InChIKey is KQDLHFVORNMAEN-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-25-14(6-7-23-25)10-21-18-9-19(24-26(2)20(18)27)29-12-13-8-16(13)17-5-4-15(28-3)11-22-17/h4-7,9,11,13,16,21H,8,10,12H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one has a molecular weight of 396.45 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 86270859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).