2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one

C22H24F3N5O2 — CID 147603130

IUPAC2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(CCc3cn(C)nc3C(F)(F)F)c(=O)n(C)n2)nc1
InChIInChI=1S/C22H24F3N5O2/c1-13-4-7-18(26-10-13)17-8-16(17)12-32-19-9-14(21(31)30(3)27-19)5-6-15-11-29(2)28-20(15)22(23,24)25/h4,7,9-11,16-17H,5-6,8,12H2,1-3H3/t16-,17+/m1/s1
InChIKeyGANNIZPUVVSOGE-SJORKVTESA-N
MW447.46 g/mol
LogP3.20
Rot. Bonds7

About 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one

2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one (PubChem CID 147603130) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one
PubChem CID147603130
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(CCc3cn(C)nc3C(F)(F)F)c(=O)n(C)n2)nc1
InChIInChI=1S/C22H24F3N5O2/c1-13-4-7-18(26-10-13)17-8-16(17)12-32-19-9-14(21(31)30(3)27-19)5-6-15-11-29(2)28-20(15)22(23,24)25/h4,7,9-11,16-17H,5-6,8,12H2,1-3H3/t16-,17+/m1/s1
InChIKeyGANNIZPUVVSOGE-SJORKVTESA-N
XLogP3.20
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one (CID 147603130) is 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one is Cc1ccc([C@H]2C[C@@H]2COc2cc(CCc3cn(C)nc3C(F)(F)F)c(=O)n(C)n2)nc1.
What is the InChIKey of 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one?
The InChIKey is GANNIZPUVVSOGE-SJORKVTESA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-13-4-7-18(26-10-13)17-8-16(17)12-32-19-9-14(21(31)30(3)27-19)5-6-15-11-29(2)28-20(15)22(23,24)25/h4,7,9-11,16-17H,5-6,8,12H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one?
2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one has a molecular weight of 447.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 147603130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).