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

C23H27N5O2 — CID 86271610

IUPAC4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C23H27N5O2/c1-14-5-8-20(24-11-14)19-9-18(19)13-30-22-10-21(23(29)28(4)27-22)25-12-17-7-6-15(2)26-16(17)3/h5-8,10-11,18-19,25H,9,12-13H2,1-4H3/t18-,19+/m1/s1
InChIKeyTYBSENZIKRRZSX-MOPGFXCFSA-N
MW405.50 g/mol
LogP3.29
Rot. Bonds7

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

4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one (PubChem CID 86271610) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
PubChem CID86271610
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C23H27N5O2/c1-14-5-8-20(24-11-14)19-9-18(19)13-30-22-10-21(23(29)28(4)27-22)25-12-17-7-6-15(2)26-16(17)3/h5-8,10-11,18-19,25H,9,12-13H2,1-4H3/t18-,19+/m1/s1
InChIKeyTYBSENZIKRRZSX-MOPGFXCFSA-N
XLogP3.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-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
2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
CID 86270858
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-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one
CID 86271609
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 86271611
6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
CID 86271612
4-((2,6-dimethylpyridin-3-yl)methylamino)-2-methyl-6-(((1S,2S)-2-(pyridin-2-yl)cyclopropyl)methoxy)pyridazin-3(2H)-one
CID 86271613
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one
CID 86271703
6-[[(1S,2S)-2-[5-(difluoromethoxy)pyridin-2-yl]cyclopropyl]methoxy]-4-[(2,6-dimethylpyridin-3-yl)methylamino]-2-methylpyridazin-3-one
CID 86271704
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 86271708
6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
CID 86271791

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one (CID 86271610) is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one is Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The InChIKey is TYBSENZIKRRZSX-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-5-8-20(24-11-14)19-9-18(19)13-30-22-10-21(23(29)28(4)27-22)25-12-17-7-6-15(2)26-16(17)3/h5-8,10-11,18-19,25H,9,12-13H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one has a molecular weight of 405.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 86271610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).