6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one

C21H23N5O3 — CID 86270493

IUPAC6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H23N5O3/c1-26-21(27)19(23-11-14-4-3-7-22-10-14)9-20(25-26)29-13-15-8-17(15)18-6-5-16(28-2)12-24-18/h3-7,9-10,12,15,17,23H,8,11,13H2,1-2H3/t15-,17+/m1/s1
InChIKeyFWSLBPBISQHKKA-WBVHZDCISA-N
MW393.45 g/mol
LogP2.37
Rot. Bonds8

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

6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one (PubChem CID 86270493) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one
PubChem CID86270493
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H23N5O3/c1-26-21(27)19(23-11-14-4-3-7-22-10-14)9-20(25-26)29-13-15-8-17(15)18-6-5-16(28-2)12-24-18/h3-7,9-10,12,15,17,23H,8,11,13H2,1-2H3/t15-,17+/m1/s1
InChIKeyFWSLBPBISQHKKA-WBVHZDCISA-N
XLogP2.37
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one
CID 86270859
4-[(4-methoxyphenyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
CID 86270952
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 86271523
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
CID 86271610
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 86271611
4-((2,6-dimethylpyridin-3-yl)methylamino)-2-methyl-6-(((1S,2S)-2-(pyridin-2-yl)cyclopropyl)methoxy)pyridazin-3(2H)-one
CID 86271613
6-[[(1S,2S)-2-[5-(difluoromethoxy)pyridin-2-yl]cyclopropyl]methoxy]-4-[(2,6-dimethylpyridin-3-yl)methylamino]-2-methylpyridazin-3-one
CID 86271704
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 86271705
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 86271708

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one?
The IUPAC name of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one (CID 86270493) is 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one is COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)nc1.
What is the InChIKey of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one?
The InChIKey is FWSLBPBISQHKKA-WBVHZDCISA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26-21(27)19(23-11-14-4-3-7-22-10-14)9-20(25-26)29-13-15-8-17(15)18-6-5-16(28-2)12-24-18/h3-7,9-10,12,15,17,23H,8,11,13H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one?
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one has a molecular weight of 393.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-(pyridin-3-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 86270493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).