7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one

C25H24F2N6O2 — CID 170182310

IUPAC7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one
SMILESC[C@H]1CN(c2cc3c(=O)n(C)ncc3c(-c3ccc(F)cc3F)n2)C[C@@H](c2cnn(C3CC3)c2)O1
InChIInChI=1S/C25H24F2N6O2/c1-14-11-32(13-22(35-14)15-9-29-33(12-15)17-4-5-17)23-8-19-20(10-28-31(2)25(19)34)24(30-23)18-6-3-16(26)7-21(18)27/h3,6-10,12,14,17,22H,4-5,11,13H2,1-2H3/t14-,22-/m0/s1
InChIKeyRWEUTIZFRRXCRQ-FPTDNZKUSA-N
MW478.50 g/mol
LogP3.77
Rot. Bonds4

About 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one

7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one (PubChem CID 170182310) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one
PubChem CID170182310
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one
SMILESC[C@H]1CN(c2cc3c(=O)n(C)ncc3c(-c3ccc(F)cc3F)n2)C[C@@H](c2cnn(C3CC3)c2)O1
InChIInChI=1S/C25H24F2N6O2/c1-14-11-32(13-22(35-14)15-9-29-33(12-15)17-4-5-17)23-8-19-20(10-28-31(2)25(19)34)24(30-23)18-6-3-16(26)7-21(18)27/h3,6-10,12,14,17,22H,4-5,11,13H2,1-2H3/t14-,22-/m0/s1
InChIKeyRWEUTIZFRRXCRQ-FPTDNZKUSA-N
XLogP3.77
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one with MolForge

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Related Compounds

(-)-[2-{[3-(4-Fluorophenyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl][5-methyl-2-(pyrimidin-2-yl)phenyl]methanone
CID 118020586
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 156009661
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 156018610
[2-[[3-(5-Fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 72703999
[2-[[3-(5-Fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 118020434
4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134808172
[2-[[4-(4-Fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 72703997
US10208024, Example 62
CID 129057383
4-fluoro-N-[(E)-[1-[(5-methyl-2-morpholino-3-pyridyl)methyl]triazol-4-yl]methyleneamino]benzamide
CID 118735834
4-fluoro-N-[(E)-[1-[(2-morpholino-5-phenyl-3-pyridyl)methyl]triazol-4-yl]methyleneamino]benzamide
CID 118735836
4-fluoro-N-[(E)-[1-[[2-morpholino-5-(p-tolyl)-3-pyridyl]methyl]triazol-4-yl]methyleneamino]benzamide
CID 118735838
[6-(3-Fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134801542

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one (CID 170182310) is 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one is C[C@H]1CN(c2cc3c(=O)n(C)ncc3c(-c3ccc(F)cc3F)n2)C[C@@H](c2cnn(C3CC3)c2)O1.
What is the InChIKey of 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one?
The InChIKey is RWEUTIZFRRXCRQ-FPTDNZKUSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-14-11-32(13-22(35-14)15-9-29-33(12-15)17-4-5-17)23-8-19-20(10-28-31(2)25(19)34)24(30-23)18-6-3-16(26)7-21(18)27/h3,6-10,12,14,17,22H,4-5,11,13H2,1-2H3/t14-,22-/m0/s1.
What are the key properties of 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one?
7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one has a molecular weight of 478.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 170182310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).