3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide

C26H20FN5O — CID 66675486

IUPAC3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(-c3ccc(F)cc3)nncc2c1
InChIInChI=1S/C26H20FN5O/c1-16-3-4-19(26(33)30-24-11-12-29-32(24)2)14-23(16)18-7-10-22-20(13-18)15-28-31-25(22)17-5-8-21(27)9-6-17/h3-15H,1-2H3,(H,30,33)
InChIKeyKKRKWJHIJIQDMS-UHFFFAOYSA-N
MW437.48 g/mol
LogP5.40
Rot. Bonds4

About 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide

3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 66675486) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID66675486
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC Name3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(-c3ccc(F)cc3)nncc2c1
InChIInChI=1S/C26H20FN5O/c1-16-3-4-19(26(33)30-24-11-12-29-32(24)2)14-23(16)18-7-10-22-20(13-18)15-28-31-25(22)17-5-8-21(27)9-6-17/h3-15H,1-2H3,(H,30,33)
InChIKeyKKRKWJHIJIQDMS-UHFFFAOYSA-N
XLogP5.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Taladegib
CID 49848070
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25118220
N-Cyclopropyl-3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25119991
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N-Cyclopropyl-3-(1-(2-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 46197240
N-Cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25119294
3-[1-(2,6-Difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25119645
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide
CID 102129226
[4-(4-Fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135453443
[7-(3,4-Dimethylphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135843966
[7-(3,5-Dimethylphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide (CID 66675486) is 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(-c3ccc(F)cc3)nncc2c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is KKRKWJHIJIQDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c1-16-3-4-19(26(33)30-24-11-12-29-32(24)2)14-23(16)18-7-10-22-20(13-18)15-28-31-25(22)17-5-8-21(27)9-6-17/h3-15H,1-2H3,(H,30,33).
What are the key properties of 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 437.48 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 66675486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).