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

C23H25F2N5O3 — CID 86271704

IUPAC6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)c(C)n1
InChIInChI=1S/C23H25F2N5O3/c1-13-4-5-15(14(2)28-13)10-26-20-9-21(29-30(3)22(20)31)32-12-16-8-18(16)19-7-6-17(11-27-19)33-23(24)25/h4-7,9,11,16,18,23,26H,8,10,12H2,1-3H3/t16-,18+/m1/s1
InChIKeySQNXCTQVAHPWSG-AEFFLSMTSA-N
MW457.48 g/mol
LogP3.58
Rot. Bonds9

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

6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 86271704) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
PubChem CID86271704
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)c(C)n1
InChIInChI=1S/C23H25F2N5O3/c1-13-4-5-15(14(2)28-13)10-26-20-9-21(29-30(3)22(20)31)32-12-16-8-18(16)19-7-6-17(11-27-19)33-23(24)25/h4-7,9,11,16,18,23,26H,8,10,12H2,1-3H3/t16-,18+/m1/s1
InChIKeySQNXCTQVAHPWSG-AEFFLSMTSA-N
XLogP3.58
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-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
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-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one (CID 86271704) is 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one is Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)c(C)n1.
What is the InChIKey of 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is SQNXCTQVAHPWSG-AEFFLSMTSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-13-4-5-15(14(2)28-13)10-26-20-9-21(29-30(3)22(20)31)32-12-16-8-18(16)19-7-6-17(11-27-19)33-23(24)25/h4-7,9,11,16,18,23,26H,8,10,12H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one?
6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 457.48 g/mol, XLogP of 3.58, 9 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-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 86271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).