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

C21H24F2N6O3 — CID 90419215

IUPAC6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one
SMILESCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)n(C)n1
InChIInChI=1S/C21H24F2N6O3/c1-12-6-14(28(2)26-12)9-24-18-8-19(27-29(3)20(18)30)31-11-13-7-16(13)17-5-4-15(10-25-17)32-21(22)23/h4-6,8,10,13,16,21,24H,7,9,11H2,1-3H3/t13-,16+/m1/s1
InChIKeyJHGXOFJWMJMEFX-CJNGLKHVSA-N
MW446.46 g/mol
LogP2.61
Rot. Bonds9

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

6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one (PubChem CID 90419215) has the molecular formula C21H24F2N6O3 and a molecular weight of 446.46 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one
PubChem CID90419215
Molecular FormulaC21H24F2N6O3
Molecular Weight446.46 g/mol
Exact Mass446.19
IUPAC Name6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one
SMILESCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)n(C)n1
InChIInChI=1S/C21H24F2N6O3/c1-12-6-14(28(2)26-12)9-24-18-8-19(27-29(3)20(18)30)31-11-13-7-16(13)17-5-4-15(10-25-17)32-21(22)23/h4-6,8,10,13,16,21,24H,7,9,11H2,1-3H3/t13-,16+/m1/s1
InChIKeyJHGXOFJWMJMEFX-CJNGLKHVSA-N
XLogP2.61
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-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
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
2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
CID 86270858
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]pyridazin-3-one
CID 86270859

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one (CID 90419215) is 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one is Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)n(C)n1.
What is the InChIKey of 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is JHGXOFJWMJMEFX-CJNGLKHVSA-N. The full InChI is InChI=1S/C21H24F2N6O3/c1-12-6-14(28(2)26-12)9-24-18-8-19(27-29(3)20(18)30)31-11-13-7-16(13)17-5-4-15(10-25-17)32-21(22)23/h4-6,8,10,13,16,21,24H,7,9,11H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one?
6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 446.46 g/mol, XLogP of 2.61, 9 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-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 90419215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).