4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one

C23H27N5O3 — CID 86271891

IUPAC4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)c(C)n3)c(=O)n(C)n2)nc1
InChIInChI=1S/C23H27N5O3/c1-14-5-6-17(26-15(14)2)11-24-21-10-22(27-28(3)23(21)29)31-13-16-9-19(16)20-8-7-18(30-4)12-25-20/h5-8,10,12,16,19,24H,9,11,13H2,1-4H3/t16-,19+/m1/s1
InChIKeyYLEWKUADLVSKDU-APWZRJJASA-N
MW421.50 g/mol
LogP2.99
Rot. Bonds8

About 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one

4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one (PubChem CID 86271891) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
PubChem CID86271891
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)c(C)n3)c(=O)n(C)n2)nc1
InChIInChI=1S/C23H27N5O3/c1-14-5-6-17(26-15(14)2)11-24-21-10-22(27-28(3)23(21)29)31-13-16-9-19(16)20-8-7-18(30-4)12-25-20/h5-8,10,12,16,19,24H,9,11,13H2,1-4H3/t16-,19+/m1/s1
InChIKeyYLEWKUADLVSKDU-APWZRJJASA-N
XLogP2.99
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

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
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

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one?
The IUPAC name of 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one (CID 86271891) is 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one?
The canonical SMILES for 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one is COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)c(C)n3)c(=O)n(C)n2)nc1.
What is the InChIKey of 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one?
The InChIKey is YLEWKUADLVSKDU-APWZRJJASA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14-5-6-17(26-15(14)2)11-24-21-10-22(27-28(3)23(21)29)31-13-16-9-19(16)20-8-7-18(30-4)12-25-20/h5-8,10,12,16,19,24H,9,11,13H2,1-4H3/t16-,19+/m1/s1.
What are the key properties of 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one?
4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one has a molecular weight of 421.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-2-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 86271891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).