7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one

C26H21F4N5O2 — CID 168887360

IUPAC7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one
SMILESCn1ncc2c(-c3ccc(C(F)(F)F)cc3F)nc(C3=C[C@H](c4cnn(C5CC5)c4)OCC3)cc2c1=O
InChIInChI=1S/C26H21F4N5O2/c1-34-25(36)19-10-22(14-6-7-37-23(8-14)15-11-32-35(13-15)17-3-4-17)33-24(20(19)12-31-34)18-5-2-16(9-21(18)27)26(28,29)30/h2,5,8-13,17,23H,3-4,6-7H2,1H3/t23-/m1/s1
InChIKeyNQEJGWMOUNEGEK-HSZRJFAPSA-N
MW511.48 g/mol
LogP5.23
Rot. Bonds4

About 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one

7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one (PubChem CID 168887360) has the molecular formula C26H21F4N5O2 and a molecular weight of 511.48 g/mol. Its IUPAC name is 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one
PubChem CID168887360
Molecular FormulaC26H21F4N5O2
Molecular Weight511.48 g/mol
Exact Mass511.16
IUPAC Name7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one
SMILESCn1ncc2c(-c3ccc(C(F)(F)F)cc3F)nc(C3=C[C@H](c4cnn(C5CC5)c4)OCC3)cc2c1=O
InChIInChI=1S/C26H21F4N5O2/c1-34-25(36)19-10-22(14-6-7-37-23(8-14)15-11-32-35(13-15)17-3-4-17)33-24(20(19)12-31-34)18-5-2-16(9-21(18)27)26(28,29)30/h2,5,8-13,17,23H,3-4,6-7H2,1H3/t23-/m1/s1
InChIKeyNQEJGWMOUNEGEK-HSZRJFAPSA-N
XLogP5.23
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one with MolForge

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Related Compounds

4-Carbethoxy-1-(pyridin-4-yl)carbonyl-5-(2,3,4,5-tetrafluorophenyl)pyrazole
CID 15499026
Methyl 3-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyridine-5-carboxylate
CID 86720253
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 89351099
5-[2-[2-(3,5-Difluorophenyl)-1-[[2-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351100
Benzyl 5-[cyclopropyl-[4-(3,5-difluoro-2-pyridinyl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90378070
Benzyl 5-[cyclopropyl-[4-(3,5-difluoro-4-pyridinyl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379362
N-[[4-[4-methyl-1-(phenylmethoxymethyl)pyrazol-5-yl]-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123388182
N-[(2S,3S)-1,1-difluoro-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzamide
CID 134608071
N-diazenyl-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 137010349
N-[(2S,3S)-1,1-difluoro-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-2-(methoxymethyl)pyrazol-3-yl]benzamide
CID 140879219
Benzyl 5-[cyclopropyl-[4-(3-fluoro-5-methyl-2-pyridinyl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 145563449
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

Frequently Asked Questions

What is the IUPAC name of 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one (CID 168887360) is 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one is Cn1ncc2c(-c3ccc(C(F)(F)F)cc3F)nc(C3=C[C@H](c4cnn(C5CC5)c4)OCC3)cc2c1=O.
What is the InChIKey of 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one?
The InChIKey is NQEJGWMOUNEGEK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H21F4N5O2/c1-34-25(36)19-10-22(14-6-7-37-23(8-14)15-11-32-35(13-15)17-3-4-17)33-24(20(19)12-31-34)18-5-2-16(9-21(18)27)26(28,29)30/h2,5,8-13,17,23H,3-4,6-7H2,1H3/t23-/m1/s1.
What are the key properties of 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one?
7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one has a molecular weight of 511.48 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 168887360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).